organic compounds
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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].
organic compounds
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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.
organic compounds
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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.
organic compounds
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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].
organic compounds
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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.
organic compounds
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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.
organic compounds
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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].
organic compounds
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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.
research communications
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In the title compound, the mean plane of the cyclohexane ring is almost normal to the benzene ring and to the mean plane of the 1,2,4-thiadiazinane ring. In the crystal, molecules are linked by N—HO hydrogen bonds, forming chains along [10], which are in turn linked via C—Hπ interactions, forming sheets parallel to (010).
organic compounds
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In the title compound, C16H11FN4S, the dihedral angles between the triazole ring and the phenyl and fluorobenzene rings are 23.22 (17) and 18.06 (17)°, respectively. The six-membered heterocyclic ring adopts a distorted envelope conformation, with the methylene C atom as the flap. In the crystal, the molecules are linked by two C—HN and C—HF interactions along [010], forming C(5), C(8) and C(13) chains repectively. C—Hπ interactions involving the phenyl ring and π–π interactions [centroid–centroid separation for triazole rings = 3.5660 (18) Å] are also observed.
research communications
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The crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate exhibits a one-dimensional hydrogen-bond motif consisting of (12) rings joined at water molecules located on a twofold rotation axis.
organic compounds
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In the title compound, C10H7BrF3N3O, the dihedral angle between the benzene and triazole rings is 23.17 (12)° and the C atom of the –CF3 group deviates from its attached ring plane by 1.147 (3) Å. In the crystal, molecules are linked by C—HN interactions, generating C(7) chains running along [010].
data reports
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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).