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In the title compound, C18H18N2O, the morpholine ring adopts a chair conformation with the exocyclic N-C bond in an equatorial orientation. The dihedral angles between the central benzene ring and the morpholine ring (all atoms) and the cyanobenzene ring are 87.87 (7) and 52.54 (7)°, respectively. No significant intermolecular interactions are observed in the crystal structure.
organic compounds
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In the title compound, C16H17NO4S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.070 (1) Å, and the morpholine ring adopts a chair conformation; the bond-angle sum for its N atom is 357.9°. The dihedral angle between the the 2H-chromene ring and the best plane through the morpholine ring is 89.09 (6)°. An intramolecular C—HS hydrogen bond occurs. In the crystal, C—HO hydrogen bonds generate R22(8) rings and π–π interactions occur between fused benzene rings of the chromene system [shortest centroid–centroid distance = 3.5487 (8) Å].
organic compounds
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In the title compound, C24H26O5, the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.029 (2) Å from the best-fit mean plane incorporating both rings. The dihedral angle between the 2H-chromene ring system and the benzene ring is 21.00 (1)°. In the crystal, pairs of C—HO hydrogen bonds generate an R22(8) ring pattern. These contacts are bolstered by weaker bifurcated C—HO hydrogen bonds.
organic compounds
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In the title compound, C27H22N2O4, the dihedral angles between the central benzene ring and the cyanobenzene ring and the 2H-coumarin ring system (r.m.s. deviation = 0.014 Å) are 22.95 (11) and 75.59 (8)°, respectively. Both terminal C atoms of the pendant diethylamino group lie to the same side of the coumarin ring system [deviations = 1.366 (2) and 1.266 (2) Å]. In the crystal, molecules are linked by C—HO and C—HN hydrogen bonds and a C—Hπ interaction, generating a three-dimensional network.
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In the title compound, C15H11BrO3, the dihedral angle between the benzene rings is 72.59 (6)°. In the crystal, pairs of C—Hπ contacts form inversion dimers. Additional C—HO hydrogen bonds generate R21(6) ring motifs and stack these dimers along the b axis. Short intermolecular BrO contacts of 3.254 (3) Å are also observed and link the stacks into a three-dimensional network.
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The title compound, C27H29F3O5, is a liquid crystal (LC) and exhibits enantiotropic SmA phase transitions. In the crystal, the dihedral angle between the 2H-chromene ring system and the benzene ring is 62.97 (2)°. The three F atoms of the –CF3 group are disordered over two sets of sites with occupancy factors 0.71 (4):0.29 (4). In the crystal, pairs of C—HO hydrogen bonds form inversion dimers and generate R22(10) rings. The structure also features C—HF and C—Hπ interactions along [100] and [010], respectively.
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The title molecule, C12H12FN3O2S, shows a short intramolecular SO contact of 2.682 (18) Å. The dihedral angle between the thiadiazole ring and the benzene ring is 86.82 (11)°. In the crystal, N—HO and C—HO hydrogen bonds generate an R21(6) graph-set motif between adjacent molecules. Pairs of futher C—HO hydrogen bonds form inversion dimers with R22(8) ring motifs. These combine to generate a three-dimensional network and stack the molecules along the b axis.
organic compounds
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In the title compound, C22H18N8·H2O, the dihedral angle between the tetrazole rings is 69.58 (1)° while the terminal phenyl ring makes dihedral angles of 26.98 (8) and 39.75 (8)° with the other benzene rings. The rings of the biphenyl unit subtend a dihedral angle of 55.23 (8)°. In the crystal, the solvent water molecule is linked to the main molecule via an N—HO hydrogen bond. In addition, C—HN and O—HN hydrogen bonds link the components into chains along [010]. The crystal structure also features C—Hπ and π–π interactions, with centroid–centroid distances of 3.6556 (9) and 3.826 (1) Å.
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In the title compound, C13H8BrClOS, the thiophene and phenyl rings are inclined by 40.69 (11)° to each other. The crystal structure is characterized by C—Hπ interactions, which link the molecules into broad layers parallel to (100). Short BrCl contacts [3.698 (1) Å] link these layers along [100].
organic compounds
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The title compound, C31H27F3O7, is a liquid crystal and exhibits enantiotropic SmA and nematic phase transitions. In the crystal, the the 2H-chromene ring system makes dihedral angles of 54.46 (17) and 7.79 (16)°, respectively, with the central benzene ring and 4-(heptyloxy)benzene ring. The three F atoms of the –CF3 group are disordered over two sets of sites, with an occupancy ratio of 0.62 (3):0.38 (3). The crystal structre features two pairs of C—HO hydrogen bonds, which form inversion dimers and generate R22(10) and R22(30) ring patterns. C—HO interactions along [100] and C—Hπ interactions futher consolidate the packing, leading to a three-dimensional network.
organic compounds
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There are two independent molecules in the asymmetric unit of the title compound, C16H15NO3S2, in which the pyrrolidine rings adopt envelope conformations, with a methylene C atom as the flap. The dihedral angles betweeen the near-planar 2H-chromene ring systems [maximum deviations = 0.0167 (20) and 0.0136 (19) Å] and the pyrrolidine rings (all atoms) are 83.83 (11) and 82.43 (11)°. In the crystal, inversion dimers linked by pairs of C—HO hydrogen bonds occur for one of the molecules. Further C—HO links involving both molecules generate a three-dimensional network.
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In the title compound, C15H16ClNO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.023 (2) Å. In the crystal, C—HO hydrogen bonds give R21(7) motifs, which generate [100] chains. C—Hπ and π–π interactions between chromene moieties [shortest ring centroid–centroid distance = 3.6199 (13) Å] consolidate the packing.
organic compounds
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In the title compound, C16H17NO3S2, the dihedral angles between the O/C/C/S group and the 2H-chromene ring system and the thiocarbamate group are 14.46 (9) and 83.30 (9)°, respectively. The bond-angle sum at the N atom is 360.0°. One of the methyl C atoms lies above the thiocarbamate plane and one lies below it [deviations = 1.264 (3) and −1.147 (3) Å, respectively]. In the crystal, inversion dimers linked by pairs of C—HO hydrogen bonds generate R22(10) loops. Weak aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.8138 (11) Å] are also observed.
organic compounds
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In the title compound, C17H19NO3S2, the maximum deviation of atoms in the 2H-chromene ring system is 0.0097 (14) Å and the piperidine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring and the piperidine ring (all atoms) is 87.59 (8)°. In the crystal, inversion dimers linked by pairs of C—HO interactions generate R22(22) loops. Further C—HO hydrogen bonds link the dimers into [110] chains and weak aromatic π–π stacking [shortest centroid–centroid distance = 3.824 (8) Å] is also observed.
organic compounds
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In the title compound, C15H14ClNO2S2, the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133 (10) Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.874 (7):0.126 (7)] with both disorder components adopting a twisted conformation. The dihedral angle between the 2H-chromene ring system and the major occupancy component of the pyrrolidine ring is 89.45 (7)°. In the crystal, inversion dimers linked by pairs of C—HS and C—HO interactions generate R22(24) and R22(10) loops, respectively. Further C—HO hydrogen bonds link the dimers into [100] chains. C—Hπ interactions also occur and there is very weak π–π stacking [interplanar spacing = 3.650 (5) Å; centroid–centroid distance = 4.095 (7) Å] between inversion-related chlorobenzene rings.