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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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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, 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, 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, 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, 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, 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.