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Two novel N-alkylated isatin derivatives (2–3) were synthesized under phase-transfer catalysis conditions. Their condensation with hydrazine hydrate and phenylhydrazine in refluxing ethanol as solvent generates two series of isatin derivatives (3-hydrazono and 3-phenylhydrazono) (4–7). The structures synthesized are elucidated using UV/Vis, FTIR, 13C-NMR, 1H-NMR, and single crystal X-ray diffraction techniques of 2, 3, and 5. The experimental data were compared with the predicted ones obtained at the B3LYP/6-31G(d,p) level of theory. Relatively, good agreements were found between the calculated and experimental results. The intermolecular contacts in 2, 3, and 5 were investigated through the Hirshfeld surface analysis. The expected inhibitory efficiency of 2, 3, and 5 against cyclooxygenase-2 (COX-2) are investigated by their molecular docking into the binding site of COX-2, which revealed that 2 might have strong inhibition efficacy against COX-2 compared to 3. [ABSTRACT FROM AUTHOR]

Two crystallographically independent molecules are present in the asymmetric unit of the title compound, C14H11NO2, with virtually identical geometries. The carbazole units are planar. The hydroxy group at position 1, carbaldehyde group at position 2, and methyl group at position 8 (with the exception of two H atoms) are coplanar with the attached benzene rings. The dihedral angle between the two benzene rings is 2.20(9)° in molecule A and 2.01(9)° in molecule B. The pyrrole ring makes dihedral angles of 0.82(10) and 1.40(10)° [0.84(10) and 1.18(10)° in molecule B] with the (-CH3)-substituted and (-OH and -CHO) substituted benzene rings, respectively. The molecular structure is stabilized by the intramolecular O--H···O hydrogen bonds, while the crystal structure features N--H···O and C--H···O hydrogen bonds. A range of π-π contacts further stabilizes the crystal structure. [ABSTRACT FROM AUTHOR]

Abstract We examine the effect of the quantum fluctuation through LHY correction on the vortex formation and the vortex lattices in a rotating Bose-Einstein condensate (BEC) trapped in a harmonic plus quartic potential in detail. To this aim, we numerically solve a quasi-two-dimensional Gross-Pitaevskii equation with two-body interaction and LHY correction and calculate the critical rotation frequency for different possible cases. We show that the LHY correction plays a significant role in determining the critical rotation frequency for vortex formation. We also discuss the impacts of the different strengths of the LHY correction in the vortex formation process. Further, we demonstrate the vortex lattice for a large rotation frequency. Highlights • Two-dimensional Gross-Pitaevskii equation with quantum fluctuation is used. • Vortices in a BEC trapped in a harmonic plus quartic trap potential is discussed. • Used both Lagrangian variational method and split-step Crank-Nicholson method. • Obtained critical rotation frequency for vortex formation in BEC for six cases. • Effect of quantum fluctuation on vortex formation in BEC is discussed in detail. [ABSTRACT FROM AUTHOR]

Abstract A new crystal, (4-Methoxyphenyl) methanaminium bromide (4MPMAB) was successfully developed by suitably functionalising the counter anion for nonlinear optical applications. Structural analysis was carried out and explores the monoclinic crystal system of P2 1 /c space group. The methoxy group of the cation is co-planar with the phenylene moiety with an r.m.s deviation of 0.0294 Å from the mean plane (C1 C8/O1). The donor mesomeric effect of methoxy group is revealed. The strong bonding nature and intermolecular N H---Br interaction between the ammonium cation and the halide anion are evidenced. In addition to that, C H---Br and C H---π interactions are also observed. As the protonation takes place by the hydrogen of hydrobromic acid (HBr), the contribution of HBr is highlighted in the formation of the 4MPMAB crystal. Powder X-ray diffraction (PXRD) study authenticates the good crystalline nature of the sample. Fourier transform infrared (FT-IR), 1H and 13C Nuclear magnetic resonance (NMR) spectral study ascertained the functional groups, the formation of the molecule and the N H---Br interaction of the grown crystal. The crystal is stable up to 219 °C. 4MPMAB has soft nature. The crystals have 65% optical transmission from 330 nm to 1100 nm with estimated optical band gap value of 3.5 eV. Z-scan study exhibits the higher third-order nonlinearity of 4MPMAB crystal. The influence of charge transfer on third-order nonlinear optical properties were revealed. Further, the optical limiting performance of 4MPMAB crystal has also been investigated. Graphical abstract Image 1 Highlights • New crystal 4MPMAB belongs to monoclinic crystal system and centrosymmetric spacegroup P2 1 /c. • Influence of various hydrogen bonding interaction on spectral, third-order nonlinear optical properties were explored. • The relationship between structure and third-order NLO properties were revealed. • 4MPMAB shows wide optical transmission from 330 nm to 1100 nm. • The crystal exhibits higher third-order nonlinearity and the optical limiting behaviour confirms that 4MPMAB crystal is a promising candidate for optical limiting applications. [ABSTRACT FROM AUTHOR]

In the title salt, poly[aqua­[μ4-bis­(malonato)borato]sodium], {[Na(C6H4BO8)]·H2O}n or Na+·[B(C3H2O4)2]-·H2O, the sodium cation exhibits fivefold coordination by four carbonyl O atoms of the bis­(malonato)borate anions and a water O atom. The tetra­hedral B atom at the centre of the anion leads to the formation of a polymeric three-dimensional framework, which is consolidated by C--H...O and O--H...O hydrogen bonds. A Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are H...O/O...H (49.7%), Na...O/O...Na (16.1%), O...O (12.6%), H...H (10.7%) and C...O/O...C (7.3%). [ABSTRACT FROM AUTHOR]

The title compound, C17H13 NO2, crystallizes with two conformationally very similar independent molecules (A and B) in the asymmetric unit. In the crystal, the individual molecules are linked by pairs of N-H…O hydrogen bonds forming A-A and B-B inversion dimers, with R2 2 (10) rings. They stack alternately up the a-axis direction and are linked by C-H…π interactions, forming sheets parallel to the ab plane. [ABSTRACT FROM AUTHOR]

In the hydrated complex salt, [Ni(C9H14N2)2(H2O)2]Cl2•2H2O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water molecule. The central nickel(II) atom is located on an inversion center and is coordinated in a trans octahedral fashion by four N atoms from two bidentate 1,2-diamino-1-phenylpropane ligands in the equatorial plane, and by two oxygen atoms from two water molecules occupying the axial sites. The five-membered chelate ring is in a slightly twisted envelope conformation. The crystal packing features O--H• • •Cl, N--H• • •O and N--H• • •Cl hydrogen bonds. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H• • •H (56.4%), O• • •H/ H• • •O (16.4%) and H• • •Cl (13.3%) interactions. The crystal void volume was calculated to be 15.17%. [ABSTRACT FROM AUTHOR]

In the title molecule, C16H13ClOS, the dihedral angle between the two benzene rings is 51.0 (1)°. [ABSTRACT FROM AUTHOR]

The piperidine ring of the title molecule, C20H15Cl2N3, is in a chair form. The dihedral angle between the two chlorophenyl rings is 38.4 (1)°. The benzene rings are in equatorial orientations. The malononitrile group is planar. Intramolecular C-H…Cl and C-H…N hydrogen bonds are found in the crystal structure. [ABSTRACT FROM AUTHOR]

In the title molecule, C13H9FOS, the dihedral angle between the thiophene ring and the benzene ring is 10.8 (1)°. The crystal packing is stabilized by C—H⋯O and C-Hπhydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title molecule, C15H11F3N4O, the quinoline unit is nearly planar. The dihedral angle between the pyridine ring and the fused benzene ring is 2.45 (6)°. The triazole ring makes dihedral angles of 63.7 (1) and 64.7 (1)° with the pyridine and benzene rings, respectively. The ethanone group is coplanar with the attached triazole ring, except for the methyl H atoms. C—H⋯O, C—H⋯N and C—H⋯F hydrogen bonds are found in the crystal structure. [ABSTRACT FROM AUTHOR]

The piperidine ring of the title compound, C25H23NO2, is in a distorted boat form. The phenyl ring at position 2 makes a dihedral angle of 80.6 (1)° with the phenyl ring of the benzyl group at position 3, and 61.2 (1)° with the phenyl ring at position 6. The dihedral angle between the phenyl ring of the benzyl group and the phenyl ring at position 6 is 84.2 (1)°. The formyl group and the phenyl ring at position 6 have equatorial orientations. The phenyl ring at position 2 and the benzyl group at position 3 have axial orientations. CH⋯O and CH⋯π hydrogen bonds are found in the crystal structure. [ABSTRACT FROM AUTHOR]

The piperidine ring of the title molecule, C21H25NO2, is in the chair form. The dihedral angle between the two phenyl rings is 46.1 (1)°. All the substituents of the central ring have equatorial orientations. The crystal packing is stabilized by CH⋯O intermolecular interactions. [ABSTRACT FROM AUTHOR]

In the title molecule, C18H10F3N5O2, the 1,2,4-triazolo[4,3-a]-quinoxaline unit is nearly planar. The central pyrazine ring makes dihedral angles of 1.67 (6) and 2.44 (5)° with the 1,2,4-triazole and fused benzene ring, respectively. The nitrophenyl ring makes dihedral angles of 2.82 (6), 3.15 (6) and 3.63 (6)° with the triazole, pyrazine and benzene rings, respectively. The nitro group is slightly twisted away from the plane of the attached benzene ring. C—H⋯O and C—H⋯F hydrogen bonds are found in the crystal structure. [ABSTRACT FROM AUTHOR]

In the title molecule, C18H17N3O3S, the dihedral angle between the two benzene rings is 72.8 (1)°. C—H⋯O and C—H⋯N hydrogen bonds are found in the crystal structure. [ABSTRACT FROM AUTHOR]

The title molecule, C9H7ClN2, is essentially planar, except for two methyl H atoms. The dihedral angle between the benzene ring and the pyrazine ring is 0.48 (7)°. A weak C—H⋯π interaction is found in the crystal structure and there are no classical hydrogen bonds. [ABSTRACT FROM AUTHOR]

• Four quinoline-4-carboxylate derivatives (2b, 3c, 4a, and 4d) have been synthesized. • They are characterized using NMR spectroscopy and X-ray crystallography. • Intercontacts between crystal units are identified by Hirshfeld surface analysis. • Docking study expects potent inhibition of quinoline-4-carboxylates vis EGFR kinase. • MD simulation expects potent corrosion inhibition of 3c and 4d derivatives. Herein, new 2-oxo-1,2-dihydroquinoline-4-carboxylate derivatives (2a-5d) have been synthesized based on a developed systematic approach, only by esterification reactions of 2-oxo-1,2-dihydroquinoline-4-carboxylic acid with various kinds of alcohols, followed by an alkylation reactions using a different alkylating agents. All the generated compounds are characterized by NMR spectroscopy (1H and 13C). The structures of compounds (2b, 3c, 4a, and 4d) were confirmed using monocrystalline X-ray crystallography. The docking study of the developed derivatives and targets of protein database inhibitors (PDB: 1M17 -EGFR kinase) showed useful information on possible interactions. The experimental results and the expected spectral data using the DFT method at the B3LYP/6-31G(d,p) level of theory were compared. Bi- and three-dimensions Hirshfeld surface examinations have been realized to reveal the non-bond interactions in solid-phase crystal packing and to identify the neighboring inter-molecular contacts for the three molecules 3c, 4a, and 4d. Monte Carlo simulations in the aqueous phase were used to expect the affinity of these derivatives toward mitigation of iron and copper corrosion in acidic and neutral solutions. A proper protection property is anticipated for compounds 3c and 4d. [Display omitted] Interactions for of the newly synthesized compounds 2b, 3c, 4a and 4d docked into the macromolecule 1M17 [ABSTRACT FROM AUTHOR]

So far, attractive, trapless Bose–Einstein condensate (BEC) has been stabilized by considering the temporal modulation of the scattering length. However, there is no scope to stabilize the repulsive, trapless BEC even in the presence of the temporal modulation of the two-body interaction. However, in the present study, we stabilize the repulsive, trapless BEC by incorporating higher-order interaction. We also discuss the possibilities of the stabilization of repulsive, trapless BEC in the presence of time-varying higher-order interaction. Additionally, we verify our analytical findings by direct numerical simulation using the split-step Crank-Nicholson method. [ABSTRACT FROM AUTHOR]

In the title compound, C19H20Cl2N2O, the seven-membered 1,4-diazepane ring adopts a chair conformation while the 4-chloro­phenyl substituents adopt equatorial orientations. The chloro­phenyl ring at position 7 is disordered over two positions [site occupancies 0.480 (16):0.520 (16)]. The dihedral angle between the two benzene rings is 63.0 (4)°. The methyl groups at position 3 have an axial and an equatorial orientation. The compound exists as a dimer exhibiting inter­molecular N—HO hydrogen bonding with R²2(8) graph-set motifs. The crystal structure is further stabilized by C—HO hydrogen bonds together with two C—Clπ (ring) inter­actions. The geometry was optimized by DFT using the B3LYP/6–31 G(d,p) level basis set. In addition, the HOMO and LUMO energies, chemical reactivity parameters and mol­ecular electrostatic potential were calculated at the same level of theory. Hirshfeld surface analysis indicated that the most important contributions to the crystal packing are from HH (45.6%), ClH/HCl (23.8%), HC/CH (12.6%), HO/OH (8.7%) and CCl/ClC (7.1%) inter­actions. Analysis of the inter­action energies showed that the dispersion energy is greater than the electrostatic energy. A crystal void volume of 237.16 ų is observed. A mol­ecular docking study with the human oestrogen receptor 3ERT protein revealed good docking with a score of −8.9 kcal mol−1. [ABSTRACT FROM AUTHOR]

The asymmetric unit of the title molecule, C8H7NO3, consists of two molecules differing slightly in conformation and in their intermolecular interactions in the solid. The dihedral angle between the benzene and dioxolane rings is 0.20 (7)° in one molecule and 0.31 (7)° in the other. In the crystal, the two molecules are linked into dimers through pairwise O--H-- -N hydrogen bonds, with these units being formed into stacks by two different sets of aromatic--stacking interactions. The stacks are connected by C--H-- -O hydrogen bonds. A Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are H-- -O/O-- -H (36.7%), H-- -H (32.2%) and C-- -H/H-- -C (12.7%). [ABSTRACT FROM AUTHOR]

In the title compound, C19H23N3O, the seven-membered diazepine ring adopts a boat conformation. The phenylcarbamoyl group is coplanar with the N atom and its two attached C atoms. The methyl group at position 2 has an equatorial orientation. The dihedral angle between the two benzene rings is 81.07 (9)°. The crystal structure is stabilized by intramolecular C—H...O and intermolecular N—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title compound, C17H15FO2S, a crystallographic mirror plane bisects the molecule, passing through O=S and C=O of the central ring, with statistical disorder of the F atom. Orientational disorder of the aromatic ring is also observed; the site occupancy factors are ca. 0.75 and 0.25. In the molecule, the thiopyran unit has a chair conformation; the geometries around the S and carbonyl C atoms are tetrahedral and planar, respectively. [ABSTRACT FROM AUTHOR]

The piperidine ring of the title molecule, C20H21Cl2NO, is in a chair form. The dihedral angle between the two benzene rings is 52.4 (1)°. The chlorophenyl and isopropyl groups have equatorial orientations. Weak C—H...O and C—H...N intramolecular interactions were found in the crystal structure. [ABSTRACT FROM AUTHOR]

The title compound, C15H21N2O+·Cl−·0.5H2O, crystallizes with two cations, two anions and one water molecule in the asymmetric unit. Both the piperidine and cyclohexane rings adopt chair conformations and the oxime groups are basically planar. The cyclohexane ring is equatorially oriented with respect to the piperidine ring. The crystal structure is stabilized by N—H...Cl, C—H...Cl, C—H...O, N—H...N and O—H...Cl hydrogen bonds. A water molecule that bridges the two crystallographically independent chloride anions via hydrogen bonds is disordered over two chemically equivalent sites, with occupancy factors of ca 0.9:0.1. [ABSTRACT FROM AUTHOR]

In the title molecule, C22H20N2O2S, the tetrahydrothiopyran ring adopts a chair conformation. The dicyanomethylene group and the 4-methoxyphenyl groups have equatorial orientations. A crystallographic mirror plane bisects the molecule, passing through the S and opposite C atoms of the central ring. [ABSTRACT FROM AUTHOR]

In the title molecule, C19H21NO, the piperidine ring adopts a chair conformation. Two phenyl rings and two methyl groups, attached to the piperidine ring at positions 2, 6, 3 and 5, respectively, occupy equatorial positions. The dihedral angle between the two phenyl rings is 57.1 (1)°. Molecules are linked by N—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

The title molecule, C15H12N2O, is essentially planar, except for the methyl H atoms. The mean plane of the isoxazole ring forms dihedral angles of 2.27 (9), 0.66 (8) and 3.97 (9)° with the pyrrole, fused benzene and methyl-substituted benzene rings, respectively. There is a short intermolecular contact between inversion-related isoxazole O atoms [O...O = 2.696 (1) Å]. In the crystal structure, molecules are stabilized by intermolecular N—H...O and N—H...N hydrogen bonds. [ABSTRACT FROM AUTHOR]

The molecule of the title compound, C14H9BrN4O, is planar, lying on a mirror plane. The molecules are linked by C—H...N hydrogen bonds; intramolecular C—H...N and C—H...O hydrogen bonds are also present. Furthermore, there is a short intermolecular Br...O contact [2.869 (5) Å]. [ABSTRACT FROM AUTHOR]

In the title compound, C14H19N5O2S2, the pyrimidine ring makes a dihedral angle of 82.8 (1)° with the oxadiazole ring. The morpholine ring adopts a chair conformation. There is a short intermolecular contact between the morpholine O atom and the sulfanylmethyl C atom [2.938 (3) Å]. The molecules are linked by C—H...S hydrogen bonds. An intramolecular C—H...N hydrogen bond is also present. [ABSTRACT FROM AUTHOR]

In the title molecule, C14H13NO3, the dihedral angle between the benzene ring and the fused pyrrole ring is 1.0 (1)°. The cyclohexene ring adopts a twist conformation. Three C atoms of the cyclohexene ring, with their attached H atoms, and all atoms of the ester group, are disordered over two positions; the site-occupancy factors are ca 0.88 and 0.12. The crystal structure is stabilized by intermolecular N—H...O and C—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

The carbazole unit of the title molecule, C13H13NO, is not planar. The dihedral angle between the benzene ring and the fused pyrrole ring is 2.5 (1)°. The cyclohexene ring is in an envelope form. There is an intramolecular C—H...O hydrogen bond. [ABSTRACT FROM AUTHOR]

The carbazole unit of the title molecule, C15H15NO3, is not planar. The dihedral angle between the benzene ring and the fused pyrrole ring is 0.9 (1)°. The cyclohexene ring is in a half-chair form. The ester group has an equatorial orientation. In the crystal structure, the molecules are stabilized by intermolecular C—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title molecule, C21H19NO4, the piperidine ring adopts a chair conformation. The benzoyl group has a bisectional orientation. The planar furyl rings and the methyl group each have an axial orientation. The structure is stabilized by inter- and intramolecular C—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title molecule, C14H16N2O, the cyclohexane ring adopts a chair conformation. The oxime group has an equatorial orientation. The cyano group and the methyl group have axial and equatorial orientations, respectively. The phenyl ring has an equatorial orientation. The structure is stabilized by intermolecular O—H...N hydogen bonds and intramolecular C—H...O interactions. [ABSTRACT FROM AUTHOR]

In the title molecule, C20H19NO3, the piperidine ring adopts a chair conformation. The phenyl and furyl rings have equatorial orientations. Molecules are linked by C—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title molecule, C19H23NO, the piperidine ring adopts a chair conformation. The two phenyl rings, and the hydroxy and ethyl groups attached to the piperidine ring, have equatorial orientations. The dihedral angle between the two phenyl rings is 54.5 (1)°. The hydroxy and amino H atoms are each disordered over two positions, with approximately equal site occupancies. Intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds contribute to the stability of the crystal packing. [ABSTRACT FROM AUTHOR]

The asymmetric unit of the title compound, C16H13ClN4O, contains two crystallographically independent molecules, A and B. The pyrazole ring of A makes dihedral angles of 5.8 (1) and 7.2 (1)° with the pyrimidine ring and the benzene ring, respectively; the corresponding values in molecule B are 7.1 (1) and 13.4 (1)°. The independent molecules display intramolecular C—H...N and C—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title molecule, C25H22N2, the piperidine ring adopts a chair conformation. The two phenyl rings attached to the piperidine ring have equatorial orientations and make a dihedral angle of 17.9 (1)°. The phenylacetonitrile group has a bisectional orientation. Molecules are linked by intramolecular C—H...N interactions, and by N—H...π and C—H...π interactions. [ABSTRACT FROM AUTHOR]

In the title molecule, C14H15NO, the cyclohexane ring adopts a chair conformation. The cyano group and the methyl group have axial and equatorial orientations, respectively. The phenyl ring has an equatorial orientation. [ABSTRACT FROM AUTHOR]

The heterofused carbazole unit of the title compound, C15H13N3O2, is not planar. The planar pyrazole ring forms dihedral angles of 2.52 (8)°, 3.18 (7)° and 2.22 (6)° with the pyrrole ring, the benzene ring and the attached carboxylate group respectively. The cyclohexene ring adopts a half-chair conformation. In the crystal structure, the molecules are stabilized by intermolecular N—H...O and O—H...N hydrogen bonds. [ABSTRACT FROM AUTHOR]

The carbazole unit of the title molecule, C15H9NO3, is planar and forms dihedral angles of 3.08 (4)° with the attached carbaldehyde group and 0.75 (4)° with the fused oxazine ring. The dihedral angle between the two benzene rings is 2.09 (4)°. The structure is stabilized by inter- and intramolecular C—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

The carbazole unit of the title molecule, C15H15NO3, is not planar. The dihedral angle between the benzene ring and the fused pyrrole ring is 0.53 (2)°. The cyclohexene ring is in half-chair form. The methyl acetate group at position 2 has a equatorial orientation. In the crystal structure, the molecules are stabilized by intermolecular N—H...O and C—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title molecule, C14H14N2O3, the cyclohexane ring adopts a chair conformation. The cyano group and methyl groups have axial and equatorial orientations, respectively. The benzene ring has an equatorial orientation. In the crystal structure, the molecules are stabilized by intermolecular C—H...N hydogen bonds. [ABSTRACT FROM AUTHOR]

The carbazole unit of the title molecule, C14H11NO2, is planar. The hydroxy group at position 1, carbaldehyde group at position 2, and methyl group at position 3 (with the exception of two H atoms) are coplanar with the attached benzene ring. The dihedral angle between the two benzene rings is 3.57 (8)°. The pyrrole ring makes dihedral angles of 1.53 (9) and 2.06 (9)° with the unsubstituted and substituted benzene rings, respectively. The structure is stabilized by inter- and intramolecular N—H...O and O—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

The asymmetric unit of the title compound, C21H15ClN2, contains two crystallographically independent molocules. In one of the mol­ecules, the chloro­phenyl ring is disordered over two orientations; these are approximately related by a rotation through 180° about its bond with the imidazole ring. The independent mol­ecules are linked into a chain along the a axis by N—H⋯N inter­molecular hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title mol­ecule, C17H19NO4, the piperidine ring adopts a twist-boat conformation. The acetyl group at position 1 has a bis­ectional orientation. The planar furyl rings at positions 2 and 6 have axial and bis­ectional orientations, respectively. The methyl groups at positions 3 and 5 have bis­ectional and equatorial orientations, respectively. In the crystal structure, the mol­ecules are stabilized by inter- and intra­molecular C—H⋯O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the paper by Balamurugan, Thiruvalluvar, Manimekalai, Selvaraju & Maruthavanan [ ], the two first sentences in the Abstract contain errors. The correct text is "In the title molecule, C17H19NO4, the piperidine ring adopts a chair conformation. The acetyl group in the 1-position and the ethyl group in the 3-position have equatorial and axial orientations, respectively". [ABSTRACT FROM AUTHOR]

In the title mol­ecule, C17H19NO, the piperidine ring adopts a chair conformation. The acetyl group in the 1-position and ethyl group in the 3-position each have an equatorial orientation. The furyl rings at positions 2 and 6 have axial orientations. [ABSTRACT FROM AUTHOR]

In the title mol­ecule, C15H17N5O3, the nitro group lies in the plane of the imidazole group, which makes a dihedral angle of 59.9 (2)° with the benzene ring. Inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. The crystal packing is further stabilized by weak C—H⋯O and C—H⋯N inter­actions. [ABSTRACT FROM AUTHOR]