organic compounds
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The title compound, C13H10N2O4, crystallized as the zwitterionic tautomer. As a result, the phenolate C—O− bond [1.296 (2) Å] is shorter than a normal Csp2—O(H) bond, and the azomethine C=N bond [1.314 (2) Å] is longer than a normal C=N double bond. The molecule is nearly planar, the mean plane of the nitro-substituted benzene ring forming dihedral angles of 9.83 (7) and 8.45 (9)° with the other benzene ring and with the nitro group, respectively. The molecular conformation is stabilized by an intramolecular N—HO hydrogen bond. In the crystal, strong O—HO hydrogen bonds link the molecules into double-stranded chains along the b-axis direction. Within the chains there are π–π interactions involving the benzene rings of adjacent molecules [centroid–centroid distance = 3.669 (1) Å]. The chains are linked via C—HO hydrogen bonds, forming R21(6), R21(7) and R22(10) ring motifs.
organic compounds
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In the title molecule, C15H13NO2S, an intramolecular O—HN hydrogen bond forms an S(6) ring motif. The benzothiazole ring system and the benzene ring form a dihedral angle of 8.9 (3) Å. In the crystal, molecules are linked by weak C—HO hydrogen bonds, forming chains along the b axis. In addition, π–π interactions [centroid–centroid distances = 3.772 (4) and 3.879 (4) Å] are observed.
organic compounds
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The asymmetric unit of the title compound, C28H22Br2N2O2S2, comprises half of a Schiff base ligand, the whole molecule being generated by a crystallographic inversion center located at the mid-point of the C—C bond of the central methylene segment. Intramolecular O—HN and O—HS hydrogen bonds make S(6) and S(5) ring motifs, respectively. In the crystal, there are no significant intermolecular interactions.
organic compounds
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In the title compound, C18H21NO3, the naphthalene group and the basal plane of the morpholine ring (r.m.s. deviations = 0.0177 and 0.0069 Å, respectively) are oriented at a dihedral angle of 44.0 (2)°. In the crystal, molecules are linked by C—Hπ interactions.
organic compounds
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In the title compound, C17H25NO2, the morpholine ring adopts a chair conformation. The benzene ring makes a dihedral angle of 39.81 (13)° with the basal plane of the morpholine group.
organic compounds
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In the title compound, C12H9BrFNO, the dihedral angle between the aromatic rings is 51.39 (5)°; the C atom of the methoxy group is close to being coplanar with its attached ring (r.m.s. deviation = 0.0172 Å] and is oriented away from the pyridine ring. In the crystal, molecules interact by van der Waals forces.
organic compounds
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In the crystal structure of the title compound, C11H15NO4S, two independent molecules are present per asymmetric unit; they are dimerized through O—HO hydrogen bonds between their carboxy groups to generate R22(8) loops. An intramolecular N—HO link in one of the molecules closes an S(5) ring. The dimers are linked by N—HO and C—HO hydrogen bonds to form a three-dimensional network. The C atoms of the isopropyl group of one of the molecules are disordered over two orientations in a 3:1 ratio.
organic compounds
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The title compound, C19H18N4O4S, exists as a zwitterion in the solid state, with nominal proton transfer from a phenol group to the imine N atom. The 2,3-dihydroxybenzaldehyde fragment is oriented at a dihedral angle of 35.51 (11)° to the adajacent aniline group and makes a dihedral angle of 76.99 (6)° with the 4,6-dimethylpyrimidin-2-amine group. Intramolecular O—HO and N—HO hydrogen bonds close S(5) and S(6) rings, respectively; the same O atom accepts both bonds. In the crystal, polymeric chains along [001] are formed from molecules joined end-to-end by N—HO and O—HN hydrogen bonds; these feature R23(6) loops. The polymeric chains are linked by C—HO interactions and there are π–π interactions between the pyrimidine rings with a centroid–centroid distance of 3.446 (2) Å.
organic compounds
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In the title molecule, C9H6Cl2N2S, the mean planes of the benzene and thiazole rings make a dihedral angle of 54.18 (8)°. In the crystal, molecules are joined into dimers with an R22(8) ring motif by pairs of N—HN hydrogen bonds. These dimers are linked by C—HCl interactions into layers parallel to (011). The thiazole rings form columns along the c-axis direction, with a centroid–centroid separation of 3.8581 (9) Å, indicating π–π interactions. An intramolecular C—HS contact also occurs.
organic compounds
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In the title compound, C15H14BrNO, the dihedral angle between the aromatic rings is 4.10 (11)° and the molecule is close to planar (r.m.s. deviation for the non-H atoms = 0.053 Å). An intramolecular O—HN hydrogen bond closes an S(6) ring. In the crystal, very weak C—Hπ interactions are observed.
organic compounds
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In the title compound, C16H13ClN4OS, the isatin ring system is oriented at dihedral angles of 10.60 (7) and 72.60 (3)° with respect to the thiosemicarbazide and 2-chlorobenzyl groups, respectively. The near planarity of the isatin and thiosemicarbazide groups [r.m.s. deviations of 0.0420 and 0.0163 Å, respectively] is reinforced by intramolecular N—HO and N—HN hydrogen bonds, which generate S(6) and S(5) rings, respectively. In the crystal, inversion dimers linked by pairs of N—HO hydrogen bonds generate R22(8) loops. Aromatic π–π stacking interactions between the centroids of heterocyclic five-membered and benzene rings [distance = 3.6866 (11) Å] are also observed.
organic compounds
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In the title compound, C14H13Cl2NO2S, the dihedral angle between the aromatic rings is 62.21 (7)° and the C—S—N—C group adopts a gauche conformation [torsion angle = 60.22 (17)°]. In the crystal, N—HO hydrogen bonds link the molecules into C(4) chains propagating in [010]. A short intermolecular ClO contact of 3.1115 (17) Å is seen.