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In the title orthorhombic polymorph (space group Iba2), C17H13N, the dihedral angle between the benzene rings is 55.99 (10)° and the azepine ring adopts a boat conformation. In the crystal, molecules are linked by C—Hπ contacts. The previously-reported polymorph [Yousuf et al. (2012). Acta Cryst. E68, o1101] crystallizes in the monoclinic system (space group P21/c) with two molecules in the asymmetric unit.
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In the title compound, C18H17N3O·0.5C2H5OH, the dihedral angles between the central imidazole rings and the pendant benzene rings are 42.06 (15) and 2.01 (16)° in one asymmetric molecule and 47.91 (15) and 7.31 (14)° in the other. An intramolecular N—HO hydrogen bond occurs in each imidazole molecule. In the crystal, the components are connected by O—HN, N—HO, C—HO and N—HN hydrogen bonds. Weak aromatic π–π interactions also occur [shortest centroid–centroid distance = 3.684 (3) Å].
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In the title compound, C28H18N2O5, the dihedral angle between the terminal benzoate rings is 20.67 (12)°. The central oxadiazole ring is almost coplanar with its two benzene ring substituents, making dihedral angles of 4.80 (16) and 5.82 (16)°. In the crystal, pairs of C—HO hydrogen bonds form inversion dimers with R22(40) ring motifs. The structure also features C—HO, C—Hπ and π–π interactions [centroid–centroid separation = 3.695 (4) Å].
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In the title compound, C16H16N2, the dihydropyrazole ring adopts a shallow envelope conformation, with the C atom bearing the phenyl group displaced by 0.298 (2) Å from the other atoms (r.m.s. deviation = 0.015 Å). The dihedral angles between the four near coplanar atoms of the central ring and the N- and C-bonded phenyl groups are 13.49 (13) and 82.22 (16)°, respectively.
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The asymmetric unit of the title compound, C23H21N3, consists of two symmetry-independent and conformationally different molecules [the comparable dihedral angles between the imidazole ring and the three benzene rings being 38.5 (2)/61.5 (3)/3.37 (17) and 45.8 (2)/36.01 (19)/46.94 (17)°]. In the crystal, intermolecular imidazole N—HN hydrogen-bonding interactions give a one-dimensional chain extending along [101].
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In the title compound C18H26BrNO2S, the thiazepine ring adopts a boat conformation. The dihedral angle between the mean planes through the benzene ring and the four C atoms making up the basal plane of the boat is 35.8 (2)°. In the crystal, inversion dimers linked by pairs of N—HO hydrogen bonds generate R22(8) loops.
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In the title compound, C24H20N4, the azepine ring adopts a boat conformation and the dihedral angle between the benzene rings fused to it is 57.95 (8)°. The bond-angle sum at the azepine N atom is 346.6°, indicating a significant deviation from planarity. The triazole ring subtends a dihedral angle of 71.45 (10)° with the terminal phenyl group. A weak intramolecular C—HNa (a = azepine) interaction occurs, which closes an S(6) ring.
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The asymmetric unit of the triclinic polymorph of the title compound, C21H25N3O3, consists of two molecules, whereas for the monoclinic polymorph Z′ = 1 [Fun et al. (2009). Acta Cryst. E65, o445]. The two molecules exhibit an E configuration with respect to the C=N bond. The molecules are linked into dimers by N—HO and C—HO hydrogen bonds forming R22(8) ring motifs. In addition, π–π interactions occur between nitrophenyl groups [minimum centroid–centroid distance 3.940 (2) Å], stacking the molecules along the ac plane.
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In the title compound, C23H15F3N2O2S, the thiazole ring makes dihedral angles of 12.98 (13), 49.30 (11) and 49.83 (12)° with the pyridine ring, the methoxyphenyl ring and the (trifluoromethyl)phenyl ring, respectively. In the crystal, molecules are connected via C—HO hydrogen bonds, forming chains along [010]. There are also C—Hπ and C—Fπ interactions present, forming a three-dimensional structure.
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In the title compound, C22H19N3O4, the dihedral angle between the furan and pyrazole rings is 82.73 (19)° while the dihedral angles between the furan and pyrazole rings and their attached benzene rings are 31.93 (18) and 1.88 (18)°, respectively. In the crystal, inversion dimers linked by pairs of C—HO hydrogen bonds generate R22(16) loops. In addition, weak C—Hπ and aromatic π–π stacking [minimum centroid–centroid distance = 3.5374 (17) Å] interactions are observed.
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In the title compound, C14H12O2, the benzene rings make a dihedral angle of 58.84 (12)°. In the crystal, molecules are linked into chains along the b-axis direction by O—HO hydrogen bonds. These chains are further linked by C—HO hydrogen bonds, forming layers parallel to the bc plane.
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In the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the molecules are linked into inversion dimers by pairs of C—HF interactions, forming R22(10) loops. These dimers are connected into C(6) chains along [001] through N—HO hydrogen bonds. Aromatic π–π stacking interactions [centroid-centroid separation = 3.8416 (10) A°] connect the molecules into a three-dimensional network.
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In the title molecule, C13H8Cl2O2, the dihedral angle between the benzene rings is 74.53 (9)°. An intramolecular O—HO hydrogen bond leading to a S(6) ring is observed. In the crystal, the molecules are connected into a three-dimensional network by C—HO and π–π [inter-centroid distance = 3.6254 (10) Å] interactions.
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In the title compound, C19H14FNS2, the seven-membered thiazepine ring adopts a slightly distorted twist boat conformation. The dihedral angle between the benzene rings is 53.6 (1)°. The mean plane of the thiazepine ring is twisted by 34.3 (7)° and 36.6 (7)° from the benezene rings. A C—HF interaction generates stacking of molecules along the ab plane.
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In the title compound, C13H13NO3, the conformation across the C=C bond is synperiplanar, the torsion angle of the segment C(ring)—C=C—C(N) being 3.2 (5)°. In the crystal, molecules are linked into inversion dimers, arranged in a zigzag pattern, through two C—HO interactions generating R22(10) and R22(14) motifs. These dimers are arranged in a zigzag pattern in the crystal structure. The molecules are further linked along the c axis through weak C—Hπ interactions, and weak ππ interactions [centroid–centroid separation = 3.9986 (17) Å] are also observed.
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In the title compound, C10H5F5O2, the C=O bonds are syn to one another. In the crystal, molecules are linked into C(9) chains parallel to [101] through weak C—HO interactions, with the O atom adjacent to the –CF3 group acting as the acceptor.
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The asymmetric unit of the title compound, C11H10N4O3, contains two independent molecules in which the benzene rings make dihedral angles of 38.3 (2) and 87.1 (2)° with respect to the triazole rings. In the crystal, the molecules are linked by C—HO hydrogen bonds, forming chains along [021]. Further, weak C—Oπ [3.865 (5) Å, 83.8 (3)°] and N—Oπ [3.275 (5) and 3.240 (6) Å, 141.8 (4) and 102.8 (3)°] interactions are observed.
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In the title salt, C14H20NO+·Cl−, the piperidine ring adopts a chair conformation. In the crystal, the cations and anions are linked by classical N—HCl hydrogen bond and weak C—HCl and C—HO hydrogen bonds; the C—HO hydrogen bonds exhibit R22(14) ring motifs while the C—HCl hydrogen bonds link the molecules into chains along the a-axis direction. π–π stacking is observed between parallel phenyl rings of adjacent cations, the centroid–centroid distance being 3.8164 (15) Å.
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In the title compound, C24H20N4, the azepine ring adopts a boat conformation. The dihedral angle between the benzene rings fused to the azepine ring is 49.40 (9)°. The triazole ring makes a dihedral angle of 77.88 (9)° with the terminal phenyl ring. In the crystal, molecules are linked via C—Hπ interactions and a parallel slipped π–π interaction [centroid–centroid distance = 3.7324 (9), normal distance = 3.4060 (6) and slippage = 1.526 Å], forming a three-dimensional network.
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In the title compound, C7H8N6O2S, the dihedral angle between the imidazole and thiadiazole rings is 70.86 (15)°. In the crystal, molecules are linked into [10-1] chains by N—HN hydrogen bonds, which incorporate centrosymmetric R22(8) and R22(18) loops. The chains are linked by C—HO and C—HN interactions, generating a three-dimensional network. Very weak π–π stacking [centroid–centroid distance = 3.901 (17) Å] is also observed.
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In the title compound, C23H20F3N3O3S2, the benzoimidazole unit makes dihedral angles of 5.02 (1) and 76.42 (1)°, respectively, with the pyridine and methylbenzene rings; the dihedral angle between the pyridine and methylbenzene rings is 72.19 (1)°. In the crystal, molecules are connected by weak C—HF, C—HO and C—HN hydrogen bonds. Weak C—Hπ interactions and π–π stacking [centroid–centroid distance = 3.6485 (14) Å] are also observed. The overall packing shows a three-dimensional architecture. The crystal structure contains a void of 51 Å3, but no solvent molecule (hexane or ethyl acetate) is located within it.