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In the title compound, C16H8F6N2, the dihedral angle between the pyrazole and difluorobenzene rings is 50.30 (13)°, while those between the pyrazole and fluorobenzene rings and between the difluorobenzene and fluorobenzene rings are 38.56 (13) and 53.50 (11)°, respectively. Aromatic π–π stacking interactions between adjacent difluorobenzene rings [centroid–centroid separation = 3.6082 (11) Å] link the molecules into dimers parallel to [21-2].
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In the title compound, C15H12Cl2N2O, the atoms not making up the chlorobenzene ring are approximately coplanar (r.m.s. deviation = 0.073 Å). The dihedral angle between these 13 atoms and the chlorobenzene ring is 67.37 (10)°. The C=O and Csp2—Cl groups are almost eclipsed [Cl—C—C=O = −6.5 (3)°]. In the crystal, C(6) chains linked by C—HO hydrogen bonds result in [100] chains.
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The title compound, C10H9NO2, is almost planar (r.m.s. deviation for the non-H atoms = 0.027 Å) and the conformation across the C=N bond is syn. Further, the O atom of the benzofuran ring is syn to the CH3 group in the side chain. In the crystal, molecules are linked into C(3) chains propagating in [010] by O—HN hydrogen bonds.
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In the title compound, C14H11FO2, the two benzene rings are not coplanar, with a dihedral angle of 57.45 (12)° between their planes. In the crystal, molecules are linked by an O—HO hydrogen bond, forming a 21 helical chain along the b axis.
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In the title compound, C10H9NO3, the dihedral angle between the benzofuran ring system (r.m.s. deviation for the non-H atoms = 0.009 Å) and the –C—C(O)—N– segment is 83.76 (1)°. In the crystal, molecules are linked by N—HO and O—HO hydrogen bonds, generating (001) sheets, which feature C(4) and C(10) chains.
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In the title compound, C21H19NO2S2, the seven-membered thiazepine ring adopts a slightly distorted twist boat conformation. The dihedral angle between the benzene rings is 67.4 (2)°. The mean plane of the thiophene ring is twisted by 59.3 (2) and 87.7 (2)° from the mean planes of the benezene rings. In the crystal, inversion dimers linked by pairs of C—HO hydrogen bonds generate R22(20) loops.
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The title compound, C8H6FNO2, is almost planar (r.m.s. deviation for the non-H atoms = 0.019 Å) and the conformation across the C=C bond is trans. The C and H atoms of the side chain are disordered over two sets of sites in a 0.56 (3):0.44 (3) ratio. In the crystal, molecules are linked by C—HO interactions, thus forming C(5) chains propagating in [001].
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In the title compound, C18H14N2O, the dihedral angle between the methylphenyl ring and the phthalazone ring system (r.m.s. deviation = 0.034 Å) is 53.93 (9)°. In the crystal, molecules are connected by C—HO hydrogen bonds, forming chains along [101]. The chains are linked by π–π interactions [centroid–centroid distance 3.6990 (12) Å], forming layers parallel to (10-1).
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In the title compound, C18H21N3O2, the dihedral angle between the benzene rings is 68.85 (11)°. In the crystal, the molecules are linked by C—HO and N—HO hydrogen bonds, as well as weak C—Hπ contacts, forming a three-dimensional supramolecular architecture.
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In the title compound, the 1,2,3,4-tetrahydropyridine ring of the quinoline moiety adopts a half-chair conformation while the pyrrolidine ring has an envelope conformation. In the crystal, molecules are linked by N—HO and C—HO hydrogen bonds, forming sheets lying parallel to (10), which are linked via C—HF hydrogen bonds and C—Hπ interactions, forming a three-dimensional structure.
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In the title structure of the title compound, C23H19NO2, two conformationally similar molecules (A and B) comprise the asymmetric unit. The dihedral angle between phenyl rings bridged by the quinoline moiety are 76.25 (8)° in molecule A and 70.39 (9)° in molecule B. In the crystal, the independent molecules are connected by C—HO hydrogen bonds and the resulting dimeric aggregates are linked by π–π [inter-centroid distance = 3.7370 (8) Å] and C—Hπ interactions, forming a three-dimensional architecture.
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In the title compound, C14H12N2O5S, the dihedral angle between the aromatic rings is 86.29 (1)° and the conformation between the C=O bond of the amide group and the meta-NO2 group is syn. The C—S—N—C torsion angle is −65.87 (19)° and the molecule has an L-shaped conformation. In the crystal, the molecules are connected into inversion dimers through pairs of N—HO hydrogen bonds and C—HO interactions forming R22(8) and R22(14) loops, respectively. The dimers are connected by further C—HO interactions, thereby forming (100) sheets.
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In the title compound, C14H13NO4S, the dihedral angle between the aromatic rings is 69.81 (1)°; the dihedral angle between the planes defined by the S—N—C=O segment of the central chain and the sulfonyl benzene ring is 74.91 (1)°. In the crystal, the molecules are linked by weak N—HO hydrogen bonds into C(4) chains running along [100]. The molecules in adjacent chains are linked by weak C—HO interactions, generating R22 (16) dimeric pairs. Weak C—Hπ interactions connect the double chains into (001) sheets.
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In the title compound, C15H15NO4S, the dihedral angle between the aromatic rings is 80.81 (1)° and the dihedral angle between the planes defined by the S—N—C=O fragment and the sulfonyl benzene ring is 86.34 (1)°. In the extended structure, dimers related by a crystallographic twofold axis are connected by pairs of both N—HO hydrogen bonds and C—HO interactions, which generate R22(8) and R22(14) loops, respectively. A weak aromatic π–π stacking interaction is also observed [centroid–centroid separation = 3.7305 (3) Å].
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In the title compound, C14H12ClNO4S, the dihedral angle between the aromatic rings is 82.07 (1)° and the dihedral angle between the planes defined by the S—N—C=O fragment and the sulfonyl benzene ring is 82.46 (3)°. In the crystal, the molecules are linked into C(4) chains running along [001] by strong N—HO hydrogen bonds. A C—HO interaction reinforces the [001] chains: its graph-set symbol is C(7). The chains are cross-linked into (100) sheets by further C—HO interactions as C(6) chains along [001]. The structure also features weak π–π stacking interactions [centroid–centroid distances = 3.577 (1) and 3.8016 (1) Å].
organic compounds
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In the title compound, C14H21NO, the conformation across the N—C(O) bond is syn-periplanar, the C—N—C—C torsion being −5.9 (5)°. The atoms of the ethyl group attached to the N atom are disordered over two sets of sites with occupancy ratios of 0.65 (2):0.35 (2) (CH2) and 0.689 (14):0.311 (14) (CH3)are linked by very weak C—HO interactions forming C(8) chains along [001]. C—Hπ interactions link the molecules along the c-axis direction.
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In the title compound, C20H14F3NS2, the seven-membered thiazepine ring adopts a slightly distorted twist–boat conformation. The mean plane of the five-membered thiophene ring fused to the thiazepine ring is twisted by 32.3 (3) and 55.6 (4)° from the benzene and phenyl rings, respectively. In the crystal, inversion dimers linked by pairs of weak C—HN interactions are observed.
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In the title compound, C14H11FO2, the dihedral angles beteen the central C3O ketone residue and the fluoro- and hydroxy-substituted benzene rings are 50.44 (9) and 12.63 (10)°, respectively. The planes of the benzene rings subtend a dihedral angle of 58.88 (9)° and an intramolecular O—HO hydrogen bond closes an S(6) ring. No directional interactions beyond van der Waals packing contacts were identified in the crystal structure.
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In the title compound, C17H13ClN2O2, the phenyl and chlorobenzene rings are inclined to the central pyrazole ring at 40.84 (9) and 65.30 (9)°, respectively. In the crystal, pairs of C—Hπ interactions link the molecules into inversion dimers and C—HO hydrogen bonds link these dimers into columns extended in [010]. The crystal packing exhibits short intermolecular OCl contacts of 3.0913 (16) Å.
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In the title compound, C8H9NO5S, the dihedral angle between the benzene ring and the nitro group is 5.86 (15)° and the C—C—O—S group adopts an anti conformation [torsion angle = −168.44 (15)°]. In the crystal, molecules are linked by C—HO hydrogen bonds, generating a three-dimensional network.
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In the title compound, C14H12Br2O, the dihedral angle between the aromatic rings is 2.7 (3)° and the Br atoms lie on the same side of the molecule. No intermolecular interactions occur in the crystal beyond van der Waals contacts.
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In the title compound, C10H9NO3, the dihedral angle between the benzene and pyrrolidine rings is 53.9 (1)°. In the crystal, molecules are linked through strong O—HO hydrogen bonds into zigzag C(8) chains running along [010]. The chains are linked by C—Hπ interactions forming sheets lying parallel to (100).
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In the title compound, C13H12N2OS, the planes of the thiophene and phenyl rings are nearly perpendicular to each other, making a dihedral angle of 86.42 (12)°. In the crystal, molecules are linked by C—HO hydrogen bonds, forming a helical chain along the b-axis direction.
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In the title compound, C13H14N2O2, the C5 ring has an envelope conformation with the C atom adjacent to the quaternary C being the flap. The five atoms comprising the imidazolidine-2,4-dione ring are almost planar (r.m.s. deviation = 0.004 Å). The dihedral angle between the five-membered rings is 89.66 (10)°. In the crystal, inversion-related molecules are connected via {HNCO}2 synthons. These are linked into a helical supramolecular chain along [010] by C—HO interactions.
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In the title compound, C16H22N2O, the azepan-2-one ring adopts a chair conformation, while the 1,2,3,4-tetrahydropyridine ring adopts a half-chair conformation. In the crystal, molecules are linked by N—HO hydrogen bonds, forming supramolecular chains propagated along [10-1], with weak C—HO interactions occurring between the chains.
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In the title compound, C15H18N2O2S, the 2,3-dihydro-1-benzothiopyran ring adopts a sofa conformation and the hydantoin ring is twisted with respect to the benzene ring at 78.73 (17)°. In the crystal, pairs of N—HO hydrogen bonds link the molecules into inversion dimers.