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In the title compound, C22H17N5·CH4O, the imidazolidine ring of the 1,2,3,5,6,7-hexa­hydro­imidazo[1,2-a]pyridine ring system is a twisted envelope, while the 1,2,3,4-tetra­hydro­pyridine ring adopts a twisted boat conformation. In the crystal, pairs of mol­ecules are linked by O—H⋯N and N—H⋯O hydrogen bonds via two methanol mol­ecules, forming a centrosymmetric R44(16) ring motif. These motifs are connected to each other by C—H⋯N hydrogen bonds and form columns along the a axis. The columns form a stable mol­ecular packing, being connected to each other by van der Waals inter­actions. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (43.8%), N⋯H/H⋯N (31.7%) and C⋯H/H⋯C (18.4%) contacts. [ABSTRACT FROM AUTHOR]

In the title compound, C16H15N5, the 1,4-di­hydro­pyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N—H...N hydrogen bonds generate centrosymmetric dimers featuring R2²(12) motifs and C—H...N contacts connect these dimers to form double layers lying parallel to (001). Weak C—H...π and N—H...π inter­actions help to consolidate the double layers and van der Waals inter­actions occur between layers. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H...H (38.5%), N...H/H...N (33.3%) and C...H/H...C (27.3%) contacts. [ABSTRACT FROM AUTHOR]

In the title compound, C28H21N3O, the 1,2-dihydropyridine ring of the 1,2,7,8-tetrahydroisoquinoline ring system is planar as expected, while the cyclohexa-1,3-diene ring has a twist-boat conformation, with Cremer--Pople parameters QT= 0.367 (2) A, Φ = 117.3 (3)° and φ = 327.3 (4)°. The dihedral angles between the best planes through the isoquinoline ring system and the three phenyl rings are 81.69 (12), 82.45 (11) and 47.36 (10)°. In the crystal, molecules are linked via N-H...O and C-H...N hydrogen bonds, forming a three-dimensional network. Furthermore, the crystal packing is dominated by C-H...π bonds with a strong interaction involving the phenyl H atoms. The role of the intermolecular interactions in the crystal packing was clarified using Hirshfeld surface analysis, and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (46.0%), C...H/H...C (35.1%) and N...H/H...N (10.5%) contacts. [ABSTRACT FROM AUTHOR]

In the cation of the title salt, C15H15N4S+.Br.H2O, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.279 (4) Å and φ(2) = 222.5 (9)°. The mean plane of the thiazolidine ring makes dihedral angles of 12.4 (2) and 66.8 (3)° with the pyridine and phenyl rings, respectively. The pyridine ring in the title molecule is essentially planar (r.m.s deviation = 0.005 Å). In the crystal, the cations, anions and water molecules are linked into a three-dimensional network, which forms cross layers parallel to the (120) and (120) planes via O--H...Br, N--H...Br and N--H...N hydrogen bonds. C-- H...π interactions also help in the stabilization of the molecular packing. Hirshfeld surface analysis and 2D (two-dimensional) fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (35.5%), C...H/H...C (23.9%), Br...H/H...Br (16.4%), N...H/H...N (10.6%) and S...H/H...S (7.9%) interactions. [ABSTRACT FROM AUTHOR]

C23H27BrO2, P21/n (no. 14), a = 10.3200(18) Å, b = 15.905(3)(6) Å, c = 12.913(2) Å, β = 97.683(4), V = 2100.6(6) Å3, Z = 4, Rgt(F) = 0.0319, wRref(F2) = 0.0872, T = 296(2) K. [ABSTRACT FROM AUTHOR]

C23H27BrO2, P21/n (no. 14), a = 10.3200(18) Å, b = 15.905(3)(6) Å, c = 12.913(2) Å, β = 97.683(4), V = 2100.6(6) Å3, Z = 4, Rgt(F) = 0.0319, wRref(F2) = 0.0872, T = 296(2) K. [ABSTRACT FROM AUTHOR]

C23H28O2, monoclinic, P21/n (no. 14), a = 8.9114(3) Å, b = 17.7151(6) Å, c = 12.6087(5) Å, β = 100.0520(10), V = 1959.93(12) Å3, Z = 4, Rgt(F) = 0.061, wRref(F2) = 0.171, T = 296(2) K. [ABSTRACT FROM AUTHOR]

C23H28O2, monoclinic, P21/n (no. 14), a = 8.9114(3) Å, b = 17.7151(6) Å, c = 12.6087(5) Å, β = 100.0520(10), V = 1959.93(12) Å3, Z = 4, Rgt(F) = 0.061, wRref(F2) = 0.171, T = 296(2) K. [ABSTRACT FROM AUTHOR]

The title compound, bis-[di-thio-bis-(formamidinium)] hexa-bromido-ruthenium dibromide trihydrate, [(NH 2 ) 2 CSSC(NH 2 ) 2 ] 2 [RuBr 6 ]Br 2 ·3H 2 O, crystallizes in the ortho-rhom-bic system, space group Cmcm , Z = 4. The [RuBr 6 ] 2- anionic complex has an octa-hedral structure. The Ru-Br distances fall in the range 2.4779 (4)-2.4890 (4) Å. The S-S and C-S distances are 2.0282 (12) and 1.783 (2) Å, respectively. The H 2 O mol-ecules, Br - ions, and NH 2 groups of the cation are linked by hydrogen bonds. The conformation of the cation is consolidated by intra-molecular O-H⋯Br, O-H⋯O, N-H⋯Br and N-H⋯O hydrogen bonds. The [(NH 2 ) 2 CSSC(NH 2 ) 2 ] 2+ cations form a hydrogen-bonded system involving the Br - ions and the water mol-ecules. Two Br - anions form four hydrogen bonds, each with the NH 2 groups of two cations, thus linking the cations into a ring. The rings are connected by water mol-ecules, forming N-H⋯O-H⋯Br hydrogen bonds., (© Rudnitskaya et al. 2024.)

In the title compound, C 19 H 17 NO 5 S, the cyclo-hexene ring adopts nearly an envelope conformation. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C-H⋯π inter-actions connect the mol-ecules by forming layers parallel to the (010) plane. According to the Hirshfeld surface analysis, H⋯H (36.9%), O⋯H/H⋯O (31.0%), C⋯H/H⋯C (18.9%) and S⋯H/H⋯S (7.9%) inter-actions are the most significant contributors to the crystal packing., (© Naghiyev et al. 2024.)

The asymmetric unit of the title compound, C 25 H 18 N 6 ·H 2 O, comproses two mol-ecules ( I and II ), together with a water mol-ecule. The terminal phenyl groups attached to the methyl groups of the mol-ecules I and II do not overlap completely, but are approximately perpendicular. In the crystal, the mol-ecules are connected by N-H⋯N, C-H⋯N, O-H⋯N and N-H⋯O hydrogen bonds with each other directly and through water mol-ecules, forming layers parallel to the (001) plane. C-H⋯π inter-actions between these layers ensure the cohesion of the crystal structure. A Hirshfeld surface analysis indicates that H⋯H (39.1% for mol-ecule I ; 40.0% for mol-ecule II ), C⋯H/H⋯C (26.6% for mol-ecule I and 25.8% for mol-ecule II ) and N⋯H/H⋯N (24.3% for mol-ecules I and II ) inter-actions are the most important contributors to the crystal packing., (© Mamedov et al. 2024.)

In the title compound, C 20 H 17 BrO 5 S, mol-ecules are connected by inter-molecular C-H⋯S hydrogen bonds with R 2 2 (10) ring motifs, forming ribbons along the b -axis direction. C-H⋯π inter-actions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure. According to a Hirshfeld surface analysis, H⋯H (40.5%), O⋯H/H⋯O (27.0%), C⋯H/H⋯C (13.9%) and Br⋯H/H⋯Br (11.7%) inter-actions are the most significant contributors to the crystal packing. The thio-phene ring and its adjacent di-carboxyl-ate group and the three adjacent carbon atoms of the central hexene ring to which they are attached were refined as disordered over two sets of sites having occupancies of 0.8378 (15) and 0.1622 (15). The thio-phene group is disordered by a rotation of 180° around one bond., (© Naghiyev et al. 2024.)

In the ten-membered 1,3,4,6-tetra-hydro-2 H -pyrido[1,2- a ]pyrimidine ring system of the title compound, C 17 H 15 N 5 , the 1,2-di-hydro-pyridine ring is essentially planar (r.m.s. deviation = 0.001 Å), while the 1,3-diazinane ring has a distorted twist-boat conformation. In the crystal, mol-ecules are linked by N-H⋯N and C-H⋯N hydrogen bonds, forming a three-dimensional network. In addition, C-H⋯π inter-actions form layers parallel to the (100) plane. Thus, crystal-structure cohesion is ensured. According to a Hirshfeld surface study, H⋯H (40.4%), N⋯H/H⋯N (28.6%) and C⋯H/H⋯C (24.1%) inter-actions are the most important contributors to the crystal packing., (© Naghiyev et al. 2024.)

In the title compound, C 21 H 15 N 5 OS 2 , mol-ecular pairs are linked by N-H⋯N hydrogen bonds along the c- axis direction and C-H⋯S and C-H⋯O hydrogen bonds along the b- axis direction, with R 2 (16) motifs, respectively, thus forming layers parallel to the (10) plane. In addition, C=S⋯π and C≡N⋯π inter-actions between the layers ensure crystal cohesion. The Hirshfeld surface analysis indicates that the major contributions to the crystal packing are H⋯H (43.0%), C⋯H/H⋯C (16.9%), N⋯H/H⋯N (11.3%) and S⋯H/H⋯S (10.9%) inter-actions.2 (12) and R 2 2 (16) motifs, respectively, thus forming layers parallel to the (10) plane. In addition, C=S⋯π and C≡N⋯π inter-actions between the layers ensure crystal cohesion. The Hirshfeld surface analysis indicates that the major contributions to the crystal packing are H⋯H (43.0%), C⋯H/H⋯C (16.9%), N⋯H/H⋯N (11.3%) and S⋯H/H⋯S (10.9%) inter-actions., (© Naghiyev et al. 2024.)

In the crystal of the title compound, C 6 H 9 ClN 2 O, mol-ecular pairs form dimers with an R (8) motif through N-H⋯O hydrogen bonds. These dimers are connect into ribbons parallel to the (100) plane with 2 (10) motifs by N-H⋯O hydrogen bonds along the 2 (8) motif through N-H⋯O hydrogen bonds. These dimers are connect into ribbons parallel to the (100) plane with R 4 4 (10) motifs by N-H⋯O hydrogen bonds along the c- axis direction. In addition, π-π [centroid-to-centroid distance = 3.4635 (9) Å] and C-Cl⋯π inter-actions between the ribbons form layers parallel to the (100) plane. The three-dimensional consolidation of the crystal structure is also ensured by Cl⋯H and Cl⋯Cl inter-actions between these layers. According to a Hirshfeld surface study, H⋯H (43.3%), Cl⋯H/H⋯Cl (22.1%) and O⋯H/H⋯O (18.7%) inter-actions are the most significant contributors to the crystal packing., (© Naghiyev et al. 2024.)

In the title compound, C 15 H 14 N 2 O 2 ·H 2 O, the 1 H -pyrrole ring makes a dihedral angle of 59.95 (13)° with the phenyl ring. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds into layers parallel to the (020) plane, while two mol-ecules are connected to the water mol-ecule by two N-H⋯O hydrogen bonds and one mol-ecule by an O-H⋯O hydrogen bond. C-H⋯π and π-π inter-actions further link the mol-ecules into chains extending in the [01] direction and stabilize the mol-ecular packing. According to a Hirshfeld surface study, H⋯H (49.4%), C⋯H/H⋯C (23.2%) and O⋯H/H⋯O (20.0%) inter-actions are the most significant contributors to the crystal packing., (© Safarova et al. 2023.)

In the title com-pound, C 16 H 13 BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E . In the crystal, the mol-ecules are linked into chains by weak C-H⋯O inter-actions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face π-π stacking inter-actions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals inter-actions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H⋯H (43.1%), C⋯H/H⋯C (17.4%), Br⋯H/H⋯Br (14.9%), C⋯C (11.9%) and O⋯H/H⋯O (9.8%)., (© Akkurt et al. 2023.)

The title compound, C 15 H 14 O 2 , adopts an E configuration about the C=C double bond. The furan ring is inclined to the phenyl ring by 12.03 (9)°. In the crystal, pairs of mol-ecules are linked by C-H⋯O hydrogen bonds, forming dimers with R 2 2 (14) ring motifs. The mol-ecules are connected via C-H⋯π inter-actions, forming a three dimensional network. No π-π inter-actions are observed., (© Khalilov et al. 2023.)

In the title compound, C 20 H 12 N 6 O·C 2 H 6 OS, the [1,2,4]triazolo[1,5- a ]pyridine ring system is almost planar and makes dihedral angles of 16.33 (7) and 46.80 (7)°, respectively, with the phenyl-amino and phenyl rings. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds into chains along the b- axis direction through the dimethyl sulfoxide solvent mol-ecule, forming C (10) R 2 S-O⋯π inter-actions, π-π stacking inter-actions between the pyridine rings [centroid-to-centroid distance = 3.6662 (9) Å] and van der Waals inter-actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (28.1%), C⋯H/H⋯C (27.2%), N⋯H/H⋯N (19.4%) and O⋯H/H⋯O (9.8%) inter-actions.1 (6) motifs. These chains are connected via S-O⋯π inter-actions, π-π stacking inter-actions between the pyridine rings [centroid-to-centroid distance = 3.6662 (9) Å] and van der Waals inter-actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (28.1%), C⋯H/H⋯C (27.2%), N⋯H/H⋯N (19.4%) and O⋯H/H⋯O (9.8%) inter-actions., (© Naghiyev et al. 2023.)

In the title compound, C 19 H 15 N 5 S, the thio-phene ring is disordered in a 0.6:0.4 ratio by an approximate 180° rotation of the ring around the C-C bond linking it to the pyridine ring. In the crystal, the mol-ecules are linked by N-H⋯N hydrogen bonds into dimers with an R 2 -axis direction. These chains are connected to each other by further N-H⋯N hydrogen bonds, forming a three-dimensional network. Furthermore, N-H⋯π and π-π [centroid-centroid separations = 3.899 (8) and 3.7938 (12) Å] inter-actions also contribute to the crystal cohesion. A Hirshfeld surface analysis indicated that the most important contributions to the surface contacts are from H⋯H (46.1%), N⋯H/H⋯N (20.4%) and C⋯H/H⋯C (17.4%) inter-actions.2 (12) motif, forming chains along the b -axis direction. These chains are connected to each other by further N-H⋯N hydrogen bonds, forming a three-dimensional network. Furthermore, N-H⋯π and π-π [centroid-centroid separations = 3.899 (8) and 3.7938 (12) Å] inter-actions also contribute to the crystal cohesion. A Hirshfeld surface analysis indicated that the most important contributions to the surface contacts are from H⋯H (46.1%), N⋯H/H⋯N (20.4%) and C⋯H/H⋯C (17.4%) inter-actions., (© Naghiyev et al. 2023.)

The asymmetric unit of the title compound, C 11 H 7 N 5 OS, contains two independent mol-ecules (1 and 2). The thio-phene ring in mol-ecule 2 is rotationally disordered (flip disorder) by ca 180° (around the single C-C bond, to which it is attached) over two sites with the site-occupation factors of 0.9 and 0.1. These two orientations of the thio-phene ring in mol-ecule 2 are not equivalent. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and N-H⋯N hydrogen bonds into ribbons parallel to (022) along the a axis. Within the (022) planes, these ribbons are connected by van der Waals inter-actions and between the (022) planes by N-H⋯O hydrogen bonds. In mol-ecule 1, Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from N⋯H/H⋯N (27.1%), H⋯H (17.6%), C⋯H/H⋯C (13.6%) and O⋯H/H⋯O (9.3%) inter-actions, while in mol-ecule 2, H⋯H (25.4%) inter-actions are the most significant contributors to the crystal packing., (© Naghiyev et al. 2023.)

In the title compound, C 20 H 26 O 5 , the two cyclo-hexane rings adopt boat and half-chair conformations. In the crystal, adjacent mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network. According to a Hirshfeld surface study, H⋯H inter-actions are the most significant contributors to the crystal packing (63.0%)., (© Karimli et al. 2023.)

In the title compound, C 32 H 29 N 5 O 2 ·C 3 H 7 NO, the bi-cyclo[3.3.1]nonane ring sys-tem adopts a half-chair/twist-boat conformation, with the phenyl rings in equatorial orientations with respect to the piperidine ring. The two oxane rings of the 2-oxabi-cyclo-[2.2.2]octane ring system exhibit a distorted boat conformation. Inter-molecular C-H⋯O and C-H⋯N hydrogen bonds connect the mol-ecules in the crystal, generating layers extending parallel to (100). These layers are connected by C-H⋯π inter-actions. A Hirshfeld surface analysis was per-formed to qu-antify the contributions of the different inter-molecular inter-actions, indicating that the most important contributions to the crystal packing are from H⋯H (52.5%), N⋯H/H⋯N (19.2%), C⋯H/H⋯C (18.8%) and O⋯H/H⋯O (8.3%) inter-actions., (© Naghiyev et al. 2023.)

The crystal used for structure determination contained, along with the title compound, C 17 H 14 BrN 3 O 4 , an admixture [0.0324 (11)] of its 7-bromo isomer. The 2,3-di-hydro-1 H -indole ring system is nearly planar, while the conformation of the 4 H -pyran ring is close to a flattened boat. The mean planes of these fragments form a dihedral angle of 86.67 (9)°. The carboxyl-ate group lies near the plane of 4 H -pyran, its orientation is stabilized by an intra-molecular C-H⋯O contact. In the crystal, the mol-ecules are connected into layers by N-H⋯N and N-H⋯O hydrogen bonds. The most important contributions to the crystal packing are from H⋯H (33.1%), O⋯H/H⋯O (16.3%), N⋯H/H⋯N (12.1%), Br⋯H/H⋯Br (11.5%) and C⋯H/H⋯C (10.6%) inter-actions., (© Naghiyev et al. 2022.)

In 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemihydrate, C 18 H 14 BrN 3 O·0.5H 2 O, (I), pairs of mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming dimers with an R (12) ring motif. The dimers are connected by N-H⋯Br and O-H⋯O hydrogen bonds, and C-Br⋯π inter-actions, forming layers parallel to the (010) plane. 1,6-Di-amino-2-oxo-4-phenyl-1,2-di-hydro-pyridine-3,5-dicarbo-nitrile, C 2 2 N 13 H 9 with two independent mol-ecules (IIA and IIB) in the asymmetric unit. In the crystal of (II), mol-ecules IIA and IIB are linked by inter-molecular N-H⋯N and N-H⋯O hydrogen bonds into layers parallel to (001). These layers are connected along the 5 axis direction by weak C-H⋯N contacts. C-H⋯π and C-N⋯π inter-actions connect adjacent mol-ecules, forming chains along the P axis direction. In (I) and (II), the stability of the packing is ensured by van der Waals inter-actions between the layers. In (I), Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H⋯H (37.9%), C⋯H/H⋯C (18.4%), Br⋯H/H⋯Br (13.3%), N⋯H/H⋯N (11.5%) and O⋯H/H⋯O (10.0%) inter-actions, while in (II), H⋯H inter-actions are the most significant contributors to the crystal packing (27.6% for mol-ecule IIA and 23.1% for mol-ecule IIB).c- axis direction by weak C-H⋯N contacts. C-H⋯π and C-N⋯π inter-actions connect adjacent mol-ecules, forming chains along the a- axis direction. In (I) and (II), the stability of the packing is ensured by van der Waals inter-actions between the layers. In (I), Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H⋯H (37.9%), C⋯H/H⋯C (18.4%), Br⋯H/H⋯Br (13.3%), N⋯H/H⋯N (11.5%) and O⋯H/H⋯O (10.0%) inter-actions, while in (II), H⋯H inter-actions are the most significant contributors to the crystal packing (27.6% for mol-ecule IIA and 23.1% for mol-ecule IIB)., (© Naghiyev et al. 2022.)

In the title compound, C 19 H 13 BrN 2 O, the pyridine ring is essentially planar [maximum deviation = 0.024 (4) Å for the N atom] and makes dihedral angles of 74.6 (2) and 65.8 (2)°, respectively, with the phenyl and bromo-phenyl rings, which subtend a dihedral angle of 63.1 (2)°. In the crystal, mol-ecules are connected along the c -axis direction via C-Br⋯π inter-actions, generating zigzag chains parallel to the (010) plane. C-H⋯N and C-H⋯O hydrogen-bonding inter-actions further connect the mol-ecules, forming a three-dimensional network and reinforcing the mol-ecular packing. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (36.2%), C⋯H/H⋯C (21.6%), N⋯H/H⋯N (12.2%), and Br⋯H/H⋯Br (10.8%) inter-actions., (© Naghiyev et al. 2022.)