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Polystyrene-supported sulfonic acid has been found to be an efficient catalyst for the one-pot, three-component synthesis of 2 H-indazolo[2,1- b]phthalazinetriones in greener solvent glycerol. Use of greener solvent glycerol along with a polymer-supported, low toxic, and inexpensive catalyst renders the method eco-friendly. High yields, simple product isolation procedure, and fluorescent and electroluminescent natures of the products are the noteworthy aspects of this protocol. [ABSTRACT FROM AUTHOR]

A convenient method for the synthesis of thiazoles by treatment of α-bromoketones with thioamides (Hantzsch synthesis) in the absence of catalysts under microwave irradiation has been developed. The products were formed rapidly in excellent yields. An efficiency comparison of time, yield, and effort clearly proved the microwave technique to be superior. The structures of the newly synthesized compounds were characterized by spectroscopic data and elemental analyses. The synthesized compounds were tested for their biological activity. Depending on the substituents, some of the thiazoles exhibit very good antibacterial or antifungal activity. [ABSTRACT FROM AUTHOR]

The structure of the title compound, C23H19N3O3, has been determined as part of our study on the synthesis and crystallography of triazole derivatives. The hydroxyl group is involved in an O—H⋯N inter­molecular inter­action. [ABSTRACT FROM AUTHOR]

Objective: The objective of the present investigation was to develop extended spectrum class lactamase inhibitors for urinary tract infection. Methods: With this aim a series of tetrahydrobenzo[b] pyran derivatives were synthesized by one pot strategy and screened for the antimicrobial activity against Proteus vulgaris. The docking and pharmacophore identification were carried out using Vlife MDS 4.3. Results: Structures of newly synthesized compounds were confirmed by physicochemical, spectral, and elemental analysis. The 4 chloro and 4 hydroxy derivatives are more active than other derivatives. The docking analysis showed that the all the inhibitors are showing the activity by blocking extended spectrum class lactamase. The pharmacophore identification showed the presence of negative ionizable, hydrogen bond donor, hydrogen bond acceptor, and aliphatic are important features required for extended spectrum class lactamase inhibition. Conclusions: Synthesized tetrahydrobenzo[b]pyran molecules were found to having moderate to good antimicrobial activity. Docking analysis shows that the possible mode of action of these synthesised derivatives is through lactamase inhibition. Molecules having chloro group 2-amino-3-carbonitrile-4- (2-chlorophenyl)-5- oxo-5,6,7,8 tetrahydro-4H-pyran were found to be most active. [ABSTRACT FROM AUTHOR]

Abstract: Relatively less toxic and biodegradable ionic liquid [C8dabco]Br has been successfully used for the synthesis of quinoxaline and phthalazinetrione derivatives in an aqueous media. Recyclability of catalyst, high yields, use of environmentally benign aqueous media as solvent, simple product isolation and high atom economy are the noteworthy aspects of the protocols. [Copyright &y& Elsevier]

In the title compound, C20H14N2, the presence of adjacent phenyl rings causes an out-of-plane twist in the quinoxaline system of approximately 12°. [ABSTRACT FROM AUTHOR]

In the title mol-ecule, C15H11Cl2NOS, the dihedral angle between the phenyl and benzene rings is 72.24 (1)°. In the crystal, pairs of N-H⋯S hydrogen bonds form dimers with twofold rotational symmetry. The dimers are connected by weak C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001). An intra-molecular O-H⋯S hydrogen bond is also observed.

In the title mol-ecule, C19H17F3N2O2, the fused cyclo-hexene and pyran rings adopt sofa and flattened boat conformations, respectively. The four essentially planar atoms of the pyran ring [maximum deviation = 0.008 (2) Å] form a dihedral angle of 88.13 (9)° with the benzene ring. The F atoms of the trifluoro-methyl group were refined as disordered over three sets of sites in a 0.507 (7):0.330 (7):0.163 (3) ratio. In the crystal, mol-ecules are connected into inversion dimers via pairs of N-H⋯N hydrogen bonds and these dimers are further linked by N-H⋯O hydrogen bonds into a two-dimensional network parallel to (100).

In the title moleclue, C6H7N3, the mean plane of the dimethyl-amino group [maximum deviation = 0.006 (2) Å] forms a dihedral angle of 7.95 (18)° with the mean plane of the propane-dinitrile fragment [maximum deviation = 0.008 (2) Å]. In the crystal, weak C-H⋯N hydrogen bonds link the mol-ecules into a three-dimensional network.

The asymmetric unit of the title compound, C(25)H(31)NO(4), contains two independent mol-ecules. In one mol-ecule, the benzene ring and an attached meth-oxy group were refined as disordered over two sets of sites in a 0.65 (4): 0.35 (4) ratio. In both mol-ecules, the central ring of the acridinedione system adopts a flattened boat conformation. The four essentially planar atoms of this ring [maximum deviations = 0.006 (5) Å in both mol-ecules] forms dihedral angles of 86.8 (2) and 87.6 (2)°, respectively, with the major and minor components in the disordered benzene ring and 87.3 (2)° with the benzene ring in the fully ordered mol-ecule. The two outer rings of the acridinedione system adopt sofa conformations in both mol-ecules. In the crystal, N-H⋯O hydrogen bonds form two independent chains along [100]. C-H⋯O hydrogen bonds link the chains, forming a three-dimensional network.

In the title mol-ecule, C(17)H(13)FN(2)O(2), the 3,4-dihydro-pyrimidine ring adopts a flattened sofa conformation with the flap atom (which bears the fluoro-phenyl substituent) deviating from the plane defined by the remaining five ring atoms by 0.281 (2) Å. This plane forms dihedral angles of 85.98 (6) and 60.63 (6)° with the 4-fluoro-phenyl and benzoyl-phenyl rings, respectively. The dihedral angle between the 4-fluoro-phenyl group and the benzene ring is 71.78 (6)°. In the crystal, N-H⋯O hydrogen bonds link mol-ecules into inversion dimers that are further connected by another N-H⋯O inter-action into a two-dimensional supra-molecular structure parallel to (101).

In the title mol-ecule, C23H26FNO2, the central ring of the acridinedione system adopts a slight boat conformation and the four essentially planar atoms of this ring [maximum deviation = 0.019 (1) Å] form a dihedral angle of 89.98 (6)° with the benzene ring. The two outer rings of the acridinedione system adopt sofa conformations. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules, forming chains along [001].

In the title mol-ecule, C19H18F3N3O, the dihydro-pyridine and cyclo-hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro-pyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifluoro-methyl group were refined as disordered over two sets of sites in a 0.840 (3):0.160 (3) ratio. In the crystal, N-H⋯O and N-H⋯N hydrogen bonds link mol-ecules into a two-dimensional network parallel to (100).

In the title mol-ecule, C24H29NO4, the central ring of the acridinedione system adopts a flat boat conformation and the four essentially planar atoms of this ring [maximum deviation = 0.001 (2) Å] form a dihedral angle of 85.99 (12)° with the benzene ring. The two outer rings of the acridinedione system adopt sofa conformations. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to (100).

In the title compound, C(7)H(10)N(2)O(2), the dimethyl-amino group is twisted slightly relative to the acrylate fragment, forming a dihedral angle of 11.6 (1)°. In the crystal, molecules are linked via pairs of bifurcated C-H/H⋯O hydrogen bonds, forming inversion dimers, which are further connected by C-H⋯N hydrogen bonds into chains along the a-axis direction.

The title mol-ecule, C(17)H(14)F(3)NO(4), consists of two nearly planar fragments, viz. the 2-benzyl-oxypyridine (r.m.s. deviation 0.016 Å) and (E)-3-meth-oxy-prop2-enoic (r.m.s. deviation 0.004 Å) units, which form a dihedral angle of 84.19 (7)°. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules into dimers that are further connected by C-H⋯O and C-H⋯F inter-actions into (001) layers. In addition, π-π stacking inter-actions are observed within a layer between the pyridine and benzene rings [centroid-centroid distance = 3.768 (2) Å]. The F atoms of the trifluoro-methyl group are disordered over two sets of sites in a 0.53 (4):0.47 (4) ratio.

In the title compound, C(11)H(12)FNO, the dihedral angle between the prop-2-en-1-one group and the benzene ring is 19.33 (6)°. The configuration of the keto group with respect to the olefinic double bond is s-cis. In the crystal, the mol-ecules form dimers through aromatic π-π stacking inter-actions [centroid-centroid distance = 3.667 (1) Å] and are linked via C-H⋯O inter-actions into chains along the b axis.

In the title compound, [Na(C₁₁H₁₁ClN₃O₃)(H₂O)](n), there are two independent Na(I) ions, one of which lies on an inversion center and is coordinated in a slightly distorted octa-hedral environment. The other Na(I) ion lies on a twofold rotation axis and is cooordinated in a slightly distorted trigonal-bipyramidal coordination environment. In the organic ligand, the imidazolidine ring adopts a half-chair conformation. The Na(I) ions bridge organic ligands and water mol-ecules, forming a two-dimensional structure parallel to (100). There are inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds within the two-dimensional structure.

In the title compound, C(13)H(16)ClN(5)O(4), the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds are present. In addition, there are weak π-π stacking inter-actions between symmetry-related pyridine rings with a centroid-centroid distance of 3.807 (1) Å.

In the title compound, C(12)H(14)ClN(3)O(3), the imidazole ring adopts a half-chair conformation. The dihedral angle between the pyridine and imidazole rings is 70.0 (1)°. In the crystal, the molecules are linked by C-H⋯O inter-actions, forming chains parallel to the c axis.

The title compound, C(9)H(12)ClN(4) (+)·Cl(-), is a natural metabolic product of imidacloprid [systematic name: (E)-1-(6-chloro-3-pyridyl-meth-yl)-N-nitro-imidazolidin-2-yl-idene-amine] and was obtained by the reduction of the latter using Fe in HCl. The dihedral angle between the pyridine and imidazole rings is 62.09 (12)°. The crystal structure is stabilized by N-H⋯Cl and C-H⋯Cl inter-actions involving the chloride anion. The pyridine N and the chloride atoms are not involved in inter-molecular inter-actions.

Background: This work was undertaken to determine the preharvest interval (PHI) of buprofezin to minimize its residues in grapes and thereby ensure consumer safety and avoid possible non-compliance in terms of residue violations in export markets. Furthermore, the residue dynamics in three grapevine soils of India was explored to assess its environmental safety., Results: Residues dissipated following non-linear two-compartment first + first-order kinetics. In grapes, the PHI was 31 days at both treatments (312.5 and 625 g a.i. ha(-1)), with the residues below the maximum permissible intake even 1 h after foliar spraying. Random sampling of 5 kg comprising small bunchlets (8-10 berries) collected from a 1 ha area gave satisfactory homogeneity and representation of the population. A survey on the samples harvested after the PHI from supervised vineyards that received treatment at the recommended dose showed residues below the maximum residue limit (MRL) of 0.02 mg kg(-1) applicable for the European Union. In soil, the degradation rate was fastest in clay soil, followed by sandy loam and silty clay, with a half-life within 16 days in all the soils., Conclusion: The recommendation of the PHI proved to be effective in minimizing buprofezin residues in grapes. Thus, this work is of high practical significance to the domestic and export grape industry of India to ensure safety compliance in respect of buprofezin residues, keeping in view the requirements of international trade.