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In the title compound, C24H20BrF2N3O3S, the triazole ring (r.m.s. deviation = 0.0107 Å) makes dihedral angles of 28.18 (14), 63.76 (14) and 77.01 (18)°, respectively, with the trimethoxy-, bromo-, and difluoro-substituted benzene rings. The C atoms of the meta methoxy groups are roughly coplanar with their ring [displacements = −0.289 (4) and 0.083 (7) Å], whereas the C atom of the para group is displaced [1.117 (3) Å]. In the crystal, inversion dimers linked by two pairs of C—HO hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R22(8).
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Two molecules make up the asymmetric unit of the title compound, C12H18N4O2, and both feature an intramolecular O—HN hydrogen bond, which generates an S(6) ring. The diethylamino group of one of the molecules is disordered over two sets of sites in a 0.59 (2):0.41 (2) ratio. In the crystal, N—HO hydrogen bonds link the molecules into sheets lying parallel to the ac plane and C—Hπ interactions are also observed.
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In the title compound, C20H14Cl2F3NO3, the trifluromethyl group is disordered over two sets of sites in a 0.784 (10):0.216 (10) ratio. The quinoline ring system is essentially planar with a maximum deviation of 0.058 (2) Å for the N atom and forms dihedral angles of 89.23 (11) and 8.13 (17)°, respectively with the mean planes of the benzene ring and the carboxylate group. In the crystal, pairs of weak C—HO and C—HF hydrogen bonds link molecules into centrosymmetric dimers. The crystal structure is further stabilized by weak π–π [centroid–centroid distance = 3.624 (2) Å] interactions.
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In the title compound, C16H13FO4, the aromatic rings enclose an angle of 73.68 (6)°. In the crystal, C—HO and C—HF contacts connect the molecules into a three-dimensional network. The shortest intercentroid distance between two aromatic π-systems is 3.6679 (7) Å and is apparent between the fluorinated phenyl groups.
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The title compound, C15H16F3NO4, is an N-substituted derivative of ortho-trifluoromethylaniline featuring a twofold Michael system. The least-squares planes defined by the atoms of the phenyl ring and the atoms of the Michael system enclose an angle of 15.52 (5)°. Apart from classical intramolecular N—HO and N—HF hydrogen bonds, intermolecular C—HO contacts are observed, the latter connecting the molecules into chains along [110]. The shortest intercentroid distance between two aromatic systems is 3.6875 (9) Å.
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In the title compound, C24H15Cl2N3O3, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C—HO contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest intercentroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further π–π interactions are manifest between a pair of 4-nitrophenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichlorophenyl rings [centroid-to-centroid distance = 3.7797 (7) Å].
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In the title methylbenzoate compound, C16H16O3, the molecule is essentially planar (r.m.s. of all fitted non-H atoms = 0.0370 Å); the dihedral angle between the phenyl rings is 2.30 (7)°. Apart from a C—Hπ interaction, no marked intermolecular contacts are obvious.
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In the title compound, C20H22BrN5O2·2H2O, the Schiff base molecule exists in an E conformation with respect to the acyclic C=N bond. An S(6) ring motif is formed via an intramolecular O—HN hydrogen bond. The dihedral angle between the imidazo[1,2-a]pyridine system and the benzene ring is 84.62 (5)°. In the crystal, N—HO, O—HO, O—HN, C—HO and C—HBr hydrogen bonds link the molecules into a three-dimensional network. The crystal packing is further stabilized by C—Hπ and π–π interactions [centroid–centroid distance = 3.5365 (7) Å].
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In the title compound, C22H25N3O4, the dihydropyridine ring adopts a flattened boat conformation. The pyrazole ring makes a dihedral angle of 29.04 (5)° with the benzene ring. The molecular structure is stabilized by an intramolecular C—HO hydrogen bond which generates an S(9) ring motif. In the crystal, molecules are linked via N—HO and C—HN hydrogen bonds into a two-dimensional network parallel to the ab plane. The crystal structure is further consolidated by weak C—Hπ interactions.
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In the title compound, C20H21N3O4, the 1,4-dihydropyridine ring adopts a boat conformation. An intramolecular C—HO hydrogen bond generates an S(6) ring motif. The pyrazole ring makes dihedral angles of 87.81 (7) and 45.09 (7)° with the mean plane of the 1,4-dihydropyridine ring and the phenyl ring, respectively. In the crystal, molecules are linked by N—HN, N—HO and C—HO hydrogen bonds into a three-dimensional network.
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In the title compound, C37H30N4O·C4H8O2, the dihedral angle between the pyrazole and dihydropyrazole rings is 74.09 (10)°. In the crystal, the components are linked into centrosymmetric tetramers (two main molecules and two solvent molecules) by C—HO hydrogen bonds. C—Hπ and π–π [shortest centroid-centroid separation = 3.6546 (9) Å] interactions are also observed.
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In the title compound, C22H24ClN3O4, intramolecular C—HO and C—HN hydrogen bonds form S(9) and S(7) ring motifs, respectively. The 1,4-dihydropyridine ring adopts a flattened boat conformation. The benzene ring makes a dihedral angle of 33.36 (6)° with the pyrazole ring. In the crystal, pairs of N—HN hydrogen bonds link the molecules into inversion dimers. The dimers are stacked in column along the a axis through N—HO and C—HN hydrogen bonds. The crystal packing also features C—Hπ interactions involving the pyrazole ring.
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In the title compound, C23H15BrO3, the anthracene ring system is essentially planar [maximum deviation = 0.29 (2) Å] and makes a dihedral angle of 5.74 (8)° with the mean plane of the bromo-substituted benzene ring. An intramolecular C—HO hydrogen bond generates an S(9) ring motif. In the crystal, molecules are linked by C—HO interactions, forming a two-dimensional network parallel to the ac plane. π–π stacking interactions are observed between benzene rings [centroid–centroid distances = 3.5949 (14) and 3.5960 (13) Å].
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In the title compound, C27H27N3O5·2H2O, the dihydropyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) Å] and makes dihedral angles of 50.42 (6) and 26.44 (6)° with the benzene rings. In the crystal, molecules are linked via N—HO, O—HO, O—HN and C—HO hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C—Hπ interactions.
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The asymmetric unit of the title compound, C21H18O2S, consists of two crystallographically independent molecules (A and B). The molecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (molecule A) and 52.69 (12)° (molecule B) with the benzene ring. In molecule A, the prop-2-en-1-one group forms dihedral angles of 22.84 (15) and 29.02 (12)° with the adjacent naphthalene ring system and benzene ring, respectively, whereas the corresponding angles are 30.04 (12) and 23.33 (12)° in molecule B. In the crystal, molecules are linked by intermolecular C—HO hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C—Hπ interactions. The crystal studied was a pseudo-merohedral twin with twin law (100 0-10 00-1) and a refined component ratio of 0.6103 (16):0.3897 (16).
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The asymmetric unit of the title compound, C20H17NO4, consists of two crystallographically independent molecules. In one of the molecules, the central benzene ring forms dihedral angles of 2.26 (6) and 58.68 (6)° with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45 (6)°. The corresponding values for the other molecule are 35.17 (6), 70.97 (6) and 69.62 (6)°, respectively. In the crystal, an inversion dimer linked by a pair of C—HO hydrogen bonds occurs for one of the unique molecules. C—Hπ and π–π [centroid–centroid distances = 3.7113 (8) and 3.7216 (7) Å] interactions link the components into a three-dimensional network.
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The asymmetric unit of the title compound, C6H11N3O, consists of two independent molecules in which the cyclopentane rings adopt envelope conformations with CH2 grouping as the flap and the semicarbazone groups are essentially planar, with maximums deviation of 0.0311 (12) and 0.0285 (12) Å. In the crystal, N—HO, N—HN and C—HO hydrogen bonds link the molecules to form sheets lying parallel to the ab plane.
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In the title compound, C23H17Cl2F3N4O3, the triazole ring makes dihedral angles of 50.27 (6) and 82.78 (7)° with the quinoline ring system and the dichloro-substituted benzene ring. The dihedral angle between the quinoline and dichloro-substituted benzene rings is 38.17 (4)°. In the crystal, molecules are linked via C—HN, C—HF and C—HO hydrogen bonds into a three-dimensional network. The crystal is further consolidated by C—Hπ contacts to the triazole ring and inversion-related π–π interactions between the benzene and pyridine rings of quinoline systems [centroid–centroid distance = 3.7037 (7) Å].
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In the title compound, C14H10BrClO2, a twofold halogenated derivative of phenylated phenyloxyethanone, the least-squares planes defined by the C atoms of the aromatic rings subtend an angle of 71.31 (17)°. In the crystal, C—HO contacts connect the molecules into chains along the b-axis direction.
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In the title compound, C8H8Br2O2, all non-H atoms lie essentially in a common plane (r.m.s deviation of all fitted non-H atoms = 0.0330 Å). In the crystal, weak C—HO hydrogen bonds connect the molecules, forming chains which extend along the b-axis direction.