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In the title molecule, C19H14N2, the benzimidazole unit is close to being planar [maximum deviation = 0.0102 (6) Å] and forms dihedral angles of 55.80 (2) and 40.67 (3)° with the adjacent phenyl rings; the dihedral angle between the phenyl rings is 62.37 (3)°. In the crystal, one C—H
N hydrogen bond and three weak C—Hπ interactions involving the fused benzene ring and the imidazole ring are observed, leading to a three-dimensional architecture.
N hydrogen bond and three weak C—Hπ interactions involving the fused benzene ring and the imidazole ring are observed, leading to a three-dimensional architecture.organic compoundsOpen access
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The title compound, C9H7N3OS3·0.5H2O, crystallizes with two independent but similar molecules in the asymmetric unit, both of which are linked by a water molecule through O—HN hydrogen bonds. In addition the water O atom is further linked by N—HO hydrogen bonds to two additional main molecules, forming a tetrameric unit. These tetrameric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thiophenoyl and thiazolyl rings is 12.15 (10) and 21.69 (11)° in molecules A and B, respectively. The central thiourea core makes dihedral angles of 5.77 (11) and 8.61 (9)°, respectively, with the thiophenoyl and thiazolyl rings in molecule A and 8.41 (10) and 13.43 (12)° in molecule B. Each molecule adopts a trans–cis geometry with respect to the position of thiophenoyl and thiazole groups relative to the S atom across the thiourea C—N bonds. This geometry is stabilized by intramolecular N—HO hydrogen bonds.
N hydrogen bonds. In addition the water O atom is further linked by N—HO hydrogen bonds to two additional main molecules, forming a tetrameric unit. These tetrameric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thiophenoyl and thiazolyl rings is 12.15 (10) and 21.69 (11)° in molecules A and B, respectively. The central thiourea core makes dihedral angles of 5.77 (11) and 8.61 (9)°, respectively, with the thiophenoyl and thiazolyl rings in molecule A and 8.41 (10) and 13.43 (12)° in molecule B. Each molecule adopts a trans–cis geometry with respect to the position of thiophenoyl and thiazole groups relative to the S atom across the thiourea C—N bonds. This geometry is stabilized by intramolecular N—HO hydrogen bonds.organic compoundsOpen access
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The title compound, C10H8N4O2S, was synthesized from furoyl isothiocynate and 2-aminopyrimidine in dry acetone. The two N—H groups are in an anti conformation with respect to each other and one N—H group is anti to the C=S group while the other is syn. The amide C=S and the C=O groups are syn to each other. The mean plane of the central thiourea fragment forms dihedral angles of 13.50 (14) and 5.03 (11)° with the furan and pyrimidine rings, respectively. The dihedral angle between the furan and pyrimidine rings is 18.43 (10)°. The molecular conformation is stabilized by an intramolecular N—HN hydrogen bond generating an S(6) ring motif. In the crystal, molecules are linked by pairs of N—HN and weak C—HS hydrogen bonds to form inversion dimers.
N hydrogen bond generating an S(6) ring motif. In the crystal, molecules are linked by pairs of N—HN and weak C—HS hydrogen bonds to form inversion dimers.organic compoundsOpen access
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In the title compound, C21H19BrN2O2·C2H6OS, the indole ring system is essentially planar, with a maximum deviation of 0.050 (3) Å for the non-bridgehead C atom adjacent to the N atom. The two cyclohex-2-enone rings adopt half-chair conformations. An intramolecular C—HO hydrogen bond occurs. The solvent molecule exhibits minor disorder of the S atom [site occupancies = 0.8153 (16) and 0.1847 (18)]. In the crystal, molecules are linked by N—HO hydrogen bonds, forming layers parallel to the bc plane.
O hydrogen bond occurs. The solvent molecule exhibits minor disorder of the S atom [site occupancies = 0.8153 (16) and 0.1847 (18)]. In the crystal, molecules are linked by N—HO hydrogen bonds, forming layers parallel to the bc plane.organic compoundsOpen access
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In the acridine system of the title molecule, C26H30N2O2, both cyclohex-2-enone rings adopt sofa conformations. The indole ring system is essentially planar, with a maximum deviation of 0.017 (2) Å for a bridgehead C atom. An intramolecular C—HO hydrogen bond occurs. The molecules assemble into C(6) chains in the crystal by way of N—HO hydrogen bonds.
O hydrogen bond occurs. The molecules assemble into C(6) chains in the crystal by way of N—HO hydrogen bonds.organic compoundsOpen access
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The title compound, C23H25BrN2O3, crystallizes with two independent molecules in the asymmetric unit (Z′ = 2) which differ in the twist of the 5-bromo-1H-indole ring with respect to the plane of the 4-methyl-1,4,5,6,7,8-hexahydroquinoline ring [dihedral angles of 78.55 (9) and 89.70 (8)° in molecules A and B, respectively]. The indole ring is planar in both molecules [maximum deviations = 0.021 (3) and −0.020 (3) Å for the N atom] while the cyclohexene ring has adopts a sofa conformation. In the crystal, molecules are linked by pairs of N—HO hydrogen bonds, forming dimers with R12(6) ring motifs. These dimers are connected by N—HO hydrogen bonds, generating chains along [110]. A C—HO contact occurs between the independent molecules.
O hydrogen bonds, forming dimers with R12(6) ring motifs. These dimers are connected by N—HO hydrogen bonds, generating chains along [110]. A C—HO contact occurs between the independent molecules.
