organic compounds
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In the title compound, C24H24Cl4N2O4S2, the dihedral angles between the central benzene ring and the pendant rings are 58.09 (10) and 62.59 (10)°. The dihedral angle between the pendant rings is 81.64 (9)°. Both sulfonamide groups lie to the same side of the central ring but the C—S—N—C torsion angles [73.09 (16) and −117.35 (14)] and S—N—C—C torsion angles [−143.80 (14) and −111.45 (16)°] differ significantly for the two pendant chains. The N atoms are close to planar (bond angle sums = 356.4 and 359.5°). In the crystal, weak C—HO and C—HCl interactions link the molecules.
metal-organic compounds
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In the monomeric title complex, [Cu(C4H5O2)2(C8H11N)2], the CuII atom lies on a centre of inversion. Its coordination by two substituted pyridine ligands and two carboxylate anions leads to a slightly distorted trans-CuN2O2 square-planar geometry. The dihedral angle between the mean planes of the pyridine (py) ring and the carboxylate group is 74.71 (7)°. The dihedral angles between the planar CuN2O2 core and the py ring and carboxylate plane are 67.72 (5) and 89.95 (5)°, respectively. Based on the refined C=C and C—C bond lengths, the terminal =CH2 and –CH3 groups of the carboxylate anion may be disordered, but the disorder could not be resolved in the present experiment. Several intramolecular C—HO interactions occur. In the crystal, molecules are linked by weak C—HO hydrogen bonds, generating chains propagating in [100].
organic compounds
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In the title compound, C17H13BrClNO, the dihedral angle between the naphthol ring system and the chlorobenzene ring is 76.59 (11)°. This twisted conformation is supported by an intramolecular O—HN hydrogen bond. In the crystal, [100] chains arise, with adjacent molecules linked by an N—HO hydrogen bond, a C—Hπ interaction and an aromatic π–π stacking contact [centroid-to-centroid separation = 3.783 (2) Å]. Weak C—HO interactions also occur.
organic compounds
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In the title compound, C16H10Cl2F3N3S, the dihedral angle between the quinoline and thiophene ring systems is 4.94 (10)°. The NH group of the hydrazone moiety does not form a hydrogen bond, due to a steric crowding. In the crystal, the thiophene ring takes part in weak π–π stacking interactions with the pyridine ring [centroid-to-centroid separation = 3.7553 (19) Å and interplanar angle = 5.48 (12)°] and the benzene ring [3.7927 (19) Å and 4.58 (12)°]. Together, these lead to [100] stacks of molecules in an alternating head-to-tail arrangement, with two π–π stacking contacts between each adjacent pair.
organic compounds
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In the title compound, C22H24N2O4S2, the dihedral angles between the central benzene ring and the pendant rings are 66.96 (13) and 69.37 (13)°. The torsion angles for the C—N—S—C fragments are −68.5 (3) and −72.6 (3)°. In the crystal, molecules are linked by N—HO hydrogen bonds to generate infinite (001) sheets containing R44(28) loops. A weak aromatic π–π stacking contact between one of the terminal benzene rings and its inversion-related partner is also observed [centroid-to-centroid separation = 3.796 (2) Å and slippage = 1.581 Å], as are two possible C—Hπ contacts.
organic compounds
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In the title compound, C14H13ClN2O5S2, the dihedral angles between the central benzene ring and the pendant chlorobenzene ring and the N-acetyl group are 82.35 (5) and 79.71 (6)°, respectively, and the overall conformation of the molecule approximates to a U shape. Both the C—S—N—C conformations are gauche, but with opposite senses [torsion angles = −59.29 (15) and 63.68 (16)°]. An intramolecular C—HO interaction generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N—HO hydrogen bonds generate R22(20) loops. A second N—HO hydrogen bond links the dimers into (101) layers.
organic compounds
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In the title compound, C17H15N3O6S, which crystallized with highly disordered methanol and/or water solvent molecules, the dihedral angle between the the indole and benzene ring systems is 5.3 (2)°, which allows for the formation of intramolecular π–π stacking interactions [centroid–centroid separations = 3.641 (3) and 3.694 (3) Å] and an approximate overall U-shape for the molecule. In the crystal, dimers linked by pairs of Ns—HOc (s = sulfonamide and c = carboxylate) hydrogen bonds generate R22(10) loops, whereas Ni—Hπ (i = indole) interactions lead to chains propagating in [100] or [010]. Together, these lead to a three-dimensional network in which the solvent voids are present as intersecting (two-dimensional) systems of [100] and [010] channels. The title compound was found to contain a heavily disordered solvent molecule, which could be methanol or water or a mixture of the two. Due to its uncertain nature and the unresolvable disorder, the data were processed with the SQUEEZE option in PLATON [Spek (2009). Acta Cryst. D65, 148–155], which revealed 877.8 Å3 of solvent-accessible volume per unit cell and 126 electron-units of scattering density or 109.7 Å3 (16 electron units) per organic molecule.. This was not included in the calculations of overall formula weight, density and absorption coefficient.
organic compounds
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In the title compound, C14H12FNO4S, the dihedral angle between the aromatic rings is 50.26 (9)° and the C—S—N—C bond adopts a gauche conformation [torsion angle = −68.12 (15)°]. The dihydrodioxine ring is disordered over two orientations, which both approximate to half-chairs, in a 0.880 (7):0.120 (7) ratio. In the crystal, N—HO hydrogen bonds link the molecules into C(4) chains propagating in [100]. Weak C—HO and C—HF interactions consolidate the packing.
organic compounds
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In the title compound, C13H11Cl2NO2S, the dihedral angle between the aromatic rings is 76.62 (10)° and the C—S—N—C linkage between the rings adopts a gauche conformation [torsion angle = −51.4 (2)°]. A weak intramolecular C—HO interaction closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—HO hydrogen bonds generate R22(8) loops.
organic compounds
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In the title compound, C16H15N3O3S, the dihedral angle between the aromatic rings is 8.18 (11)° and the C=N—N=C torsion angle is 178.59 (14)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.8157 (18) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.045 Å). An intramolecular O—HN hydrogen bond closes an S(6) ring. In the crystal, weak C—HO interactions link the molecules, with all three O atoms acting as acceptors.
organic compounds
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In the title compound, C16H13BrN4O4S, the dihedral angle between the aromatic rings is 4.1 (2)° and the C=N—N=C torsion angle is 175.5 (3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9 (7)°]. The thiazine ring has an S-envelope conformation with the S atom displaced by 0.819 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.017 Å). In the crystal, C—HO interactions link the molecules and weak aromatic π–π stacking [centroid–centroid separation = 3.874 (2) Å] is 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.
organic compounds
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In the title compound, C16H13BrFN3O2S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N—N=C torsion angle is 178.9 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by −0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C—HO interactions link the molecules and weak aromatic π–π stacking between the fluorobenzene and bromobenzene rings [centroid–centroid separation = 3.720 (2) Å and interplanar angle = 2.6 (2)°] is also observed.
organic compounds
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In the title compound, C17H17N3O2S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N—N=C group is statistically planar [torsion angle = 179.8 (8)°]. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.823 (9) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012 Å). In the crystal, C—HO interactions link the molecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic π–π stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826 (5) Å and interplanar angle = 6.3 (4)°].
organic compounds
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In the title compound, C20H17F2NO4S2, the dihedral angles between the o-xylene ring and the fluorobenzene rings are 31.7 (1) and 32.8 (1)°, and the dihedral angle between the fluorobenzene rings is 50.9 (1)°. The C—N—S—C torsion angles are 76.7 (2) and 101.8 (2)°. In the crystal, molecules are connected by C—HO interactions into sheets in the ab plane.
organic compounds
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In the title compound, C22H23NO4S2, the dihedral angles between the dimethylphenyl ring and the two methylphenyl rings are 41.19 (15) and 20.50 (17)°; the dihedral angle between the methylphenyl rings is 48.11 (14)°. The C—N—S—C torsion angles are −87.6 (2) and 77.43 (18)°. The only possible directional interactions in the crystal are very weak C—Hπ interactions and very weak π–π stacking between parallel methylphenyl rings [centroid-to-centroid separation = 4.010 (2) Å and slippage = 1.987 Å].