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In the title compound, C23H24N4O5, the essentially planar benzimidazole ring system [maximum deviation = 0.008 (2) Å] forms a dihedral angle of 39.22 (7)° with the attached nitrobenzene ring. The pyrrolidin-2-one ring adopts an envelope conformation with a C atom as the flap. In the crystal, molecules are connected by C—HO interactions, forming sheets propagating in (011). The crystal packing also features weak π–π stacking interactions [centroid–centroid = 3.6746 (12) Å].
organic compounds
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In the title compound, C24H27N3O5·H2O, the essentially planar benzimidazole ring system [maximum deviation = 0.020 (1) Å] forms dihedral angles of 54.10 (11) and 67.79 (6)°, respectively, with the mean plane of pyrrolidin-2-one ring and the benzene ring. The pyrrolidin-2-one ring adopts an envelope conformation with one of the methylene C atoms at the flap. An intramolecular C—Hπ interaction is observed. In the crystal, O—HO and O—HN hydrogen bonds link the two components into a double-tape structure along the a axis. The crystal packing is further stabilized by weak π–π stacking [centroid–centroid distance = 3.6632 (9) Å] and C—HO interactions.
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In the title compound, C23H22N4O4, the essentially planar [maximum deviation = 0.022 (1) Å] benzimidazole ring system forms dihedral angles of 86.16 (7) and 37.38 (6)°, respectively, with the imidazole and benzene rings. The dioxolane ring adopts an envelope conformation with the methylene C atom at the flap. In the crystal, C—HO and C—HN interactions link the molecules into a ribbon along the a axis. The crystal packing is further stabilized by weak π–π stacking interactions [centroid–centroid distances = 3.5954 (8) and 3.7134 (8) Å] and C—Hπ interactions.
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In the title compound, C23H25N3O3, the benzimidazole ring system is essentially planar [maximum deviation = 0.0240 (18) Å]. The mean plane through this ring system forms a dihedral angle of 42.23 (7)° with the benzene ring. The pyrrolidine ring is in an envelope conformation with the flap atom disordered over two sites with occupancies of 0.813 (11) and 0.187 (11). In the crystal, weak C—HO hydrogen bonds form R22(10) ring motifs, which are connected by further C—HO interactions, forming ribbons along the b axis. The crystal structure is further stabilized by weak π–π interactions involving the imidazole and benzene rings of the benzimidazole ring system [centroid–centroid distances = 3.6788 (11) and 3.6316 (10) Å] and weak C—Hπ interactions.
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The asymmetric unit of the title compound, C24H27N3O4, contains two molecules, A and B. The benzimidazole rings are essentially planar [maximum deviations = 0.0144 (10) and 0.0311 (8) Å in A and B, respectively]. The dihedral angle between the benzimidazole mean plane and its attached benzene ring is 36.90 (5) ° for molecule A and 51.40 (5) ° for molecule B. In both molecules, the pyrrolidine ring adopts an envelope conformation with a C atom as the flap. In molecule B, the flap C atom is disordered over two positions in a 0.711 (6):0.289 (6) ratio. In the crystal, C—HO interactions link the molecules, generating [100] chains. The crystal packing also features weak π–π interactions between the imidazole and benzene rings [centroid–centroid distances = 3.8007 (7) and 3.8086 (7) Å] and between the benzene rings [centroid–centroid distance = 3.7001 (7) Å] and C—Hπ interactions involving the benzene rings.
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In the title compound, C24H25N3O5, the benzimidazole and benzodioxole ring systems are each approximately planar [maximum deviations = 0.043 (1) and 0.036 (1) Å, respectively]. Their mean planes form a dihedral angle of 42.85 (4)°. The pyrrolidine ring has an envelope conformation with one of the methylene C atoms forming the flap. In the crystal, weak C—HO hydrogen bonds link the molecules into a three-dimensional network. The crystal packing is further stabillized by weak π–π interactions between the benzene rings within the benzimidazole ring system [centroid–centroid distance = 3.7955 (7) Å]. A weak C—Hπ interaction involving the benzodioxole ring is also present.
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In the title molecule, C17H11F3O, the indan ring system and the trifluoromethyl-substituted benzene ring are approximately individually planar and form a dihedral angle of 1.81 (5)° with each other. In the crystal, molecules are linked by pairs of weak bifurcated (C—H)2O hydrogen bonds to form centrosymmetric dimers, generating R21(6) and R22(10) ring motifs. These dimers are connected by further weak C—HO hydrogen bonds into one-dimensional chains along the b axis. Weak C—Hπ interactions are also present.
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In the title compound, C30H25NO5S, all the five-membered rings are in envelope conformations with the spiro and methylene C atoms as the flap atoms. Intramolecular C—HO interactions stabilize the molecular structure and form S(6) and S(7) ring motifs. The mean plane through the hexahydropyrrolo[1,2-c]thiazole ring [r.m.s deviation of 0.0393 (1) Å] makes dihedral angles of 60.92 (5), 88.33 (4) and 84.12 (4)° with the terminal benzene ring and the mean planes of the mono and di-oxo substituted indan rings, respectively. Molecules are linked by intermolecular C—HO interactions into a three-dimensional network. In addition, C—Hπ and π–π interactions [centroid-to-centroid distance = 3.4084 (8) Å] further stabilize the crystal structure.
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In the title compound, C31H23NO2S, the pyrrolidine ring adopts an envelope conformation (with the spiro C atom as the flap), while the thiazolidine ring and the two cyclopentane rings adopt twisted conformations. The mean plane through the hexahydropyrrolo[1,2-c]thiazole ring [r.m.s deviation = 0.400 (1) Å] forms dihedral angles of 76.83 (4), 80.70 (5) and 79.00 (4)° with the benzene ring and the mean planes of the dihydroacenaphthylene and the dihydroindene rings, respectively. In the crystal, molecules are linked by C—HO hydrogen bonds into sheets lying parallel to the bc plane. One of the ketone O atoms accepts three such bonds. Weak C—Hπ interactions are also observed.
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In the title compound, C31H22F3NO2, the pyrrolidine and cyclopentane rings within the dihydroindene ring system are in envelope conformations, with the N atom and the spiro-C atom at the flap, respectively. An intramolecular C—HO hydrogen bond forms an S(8) ring motif. The mean plane through the pyrrolidine ring [r.m.s. deviation = 0.179 (2) Å] makes dihedral angles of 86.30 (13), 88.99 (10) and 79.69 (11)° with the benzene ring, the dihydroacenaphthylene ring and the mean plane of the indane system, respectively. In the crystal, molecules are linked by C—HO and C—HN hydrogen bonds into a two-dimensional network parallel to the ac plane. C—Hπ interactions further stabilize the crystal structure.
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In the title compound, C30H22BrNO2, the cyclopentane ring of the dihydroacenaphthylene group and the pyrrolidine ring are both in envelope conformations with the spiro C atom and N atom, respectively, as the flap atom. The cyclopentane ring of the indane group adopts a half-chair conformation. A weak intramolecular C—HO hydrogen bond forms an S(8) ring motif. The naphthalene ring system of the dihydroacenaphthylene group forms dihedral angles of 41.76 (6) and 42.17 (6)° with the benzene ring of the bromophenyl group and the benzene ring of the indane group, respectively. The dihedral angle between the two benzene rings is 83.92 (7)°. In the crystal, molecules are linked by weak C—HO and C—HN hydrogen bonds into a two-dimensional network parallel to the ac plane. Weak C—Hπ interactions are also observed.
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In the title compound, C22H17BrN2O2, the benzimidazole ring system is essentially planar, with a maximum deviation of 0.017 (1) Å, and forms dihedral angles of 27.79 (6) and 64.43 (6)° with the phenyl and bromo-substituted benzene rings, respectively. In the crystal, molecules are linked into one-dimensional chains along the a axis by weak C—HO hydrogen bonds. Weak intermolecular C—Hπ interactions are also present.
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In the title compound, C15H14N2O4, the dihedral angle between the benzene and phenyl rings is 73.20 (6)°. An intramolecular N—HO hydrogen bond forms an S(6) ring motif. In the crystal, molecules are linked by N—HO and C—HO hydrogen bonds into a layer parallel to the bc plane.
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The asymmetric unit of the title compound, C23H17F3N2O2, contains two molecules. In one of the molecules, the phenyl and triflouromethyl-substituted benzene rings form dihedral angles of 52.05 (8) and 33.70 (8)°, respectively, with the benzimidazole ring system, while the dihedral angle between them is 58.24 (10)°. The corresponding values in the other molecule are 58.40 (8), 25.90 (8) and 60.83 (10)°, respectively. In the crystal, molecules are linked into chains along [100] by C—HO and C—HN hydrogen bonds. Aromatic π–π stacking interactions [centroid–centroid distance = 3.6700 (12) Å] also occur.
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The title compound, C11H14Cl4O, was efficiently synthesized by atom-transfer radical addition between (R)-carvone and tetrachloromethane. In the molecule, both chiral centres are of the absolute configuration R. The cyclohex-2-enone ring has an envelope conformation with the chiral C atom displaced by 0.633 (2) Å from the mean plane through the other five C atoms [maximum deviation = 0.036 (2) Å]. In the crystal, molecules are linked via C—HO interactions, leading to the formation of helical chains propagating along [100].
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In the title compound, C23H17F3N2O3, an intramolecular C—HF hydrogen bond generates an S(6) ring motif. The essentially planar 1H-benzimidazole ring system [maximum deviation = 0.021 (2) Å] forms dihedral angles of 25.00 (10) and 62.53 (11)° with the trifluoromethoxy-substituted benzene and phenyl rings, respectively. The twist of the ethyl acetate group from the least-squares plane of the 1H-benzimidazole ring system is defined by a C(=O)—O—C—C torsion angle of 79.5 (3)°. In the crystal, molecules are linked into a two-dimensional network parallel to the bc plane by weak C—HN and C—HO hydrogen bonds. Weak C—Hπ interactions also observed.
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The whole molecule of the title β-enaminoester, C16H28N2O4, is generated by a crystallographic inversion center, situated at the mid-point of the central C—C bond of the 1,4-diaminobutane segment. There are two intramolecular N—HO hydrogen bonds that generate S(6) ring motifs. This leads to the Z conformation about the C=C bonds [1.3756 (17) Å]. The molecule is S-shaped with the planar central 1,4-diaminobutane segment [maximum deviation for non H-atoms = 0.0058 (13) Å] being inclined to the ethyl butylenonate fragment [C—C—O—C—C=C—C; maximum deviation = 0.0710 (12) Å] by 15.56 (10)°. In the crystal, molecules are linked via C—HO interactions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane.
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In the title compound, C27H20BrNO3, two intramolecular C—HO hydrogen bonds both form S(6) rings. The pyrrolidine ring adopts a twisted conformation about the C—C bond bearing the indane ring systems. The other two five-membered rings within the indane systems are in shallow envelope conformations, with the spiro C atoms as the flap atoms. The mean plane of the pyrrolidine ring [maximum deviation = 0.275 (1) Å] makes dihedral angles of 65.25 (7), 78.33 (6) and 75.25 (6)° with the bromo-substituted benzene ring and the mean planes of the mono- and dioxo-substituted indane rings, respectively. In the crystal, molecules are linked by C—HO and C—HN hydrogen bonds into a three-dimensional network. In addition, C—Hπ interactions are observed.
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The asymmetric unit of the title compound, C27H32N4O4·H2O, contains two independent benzimidazole-5-carboxylate molecules and two water molecules. In both main molecules, the pyrrolidine rings are in an envelope conformation with a methylene C atom as the flap. The morpholine rings adopt chair conformations. Both benzimidazole rings are essentially planar, with maximum deviations of 0.008 (1) Å, and form dihedral angles of 37.65 (6) and 45.44 (6)° with the benzene rings. In one molecule, an intramolecular C—HO hydrogen bond forms an S(7) ring motif. In the crystal, O—HO and O—HN hydrogen bonds connect pairs of main molecules and pairs of water molecules into two independent centrosymmetric four-compoment aggregates. These aggregates are connect by C—HO hydrogen bonds leading to the formation of a three-dimensional network, which is stabilized by C—Hπ interactions.