organic compounds
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In the title compound, C13H10N2O5S·H2O, the dihedral angle between the sulfonyl and benzoyl benzene rings is 83.4 (1)°. In the crystal, the water molecule forms four hydrogen bonds with three different molecules of N-benzoyl-4-nitrobenzenesulfonamide. One of the H atoms of H2O forms a bifurcated hydrogen bond with a sulfonyl and the carbonyl O atoms. Molecules are linked into a three-dimensional network by N—HO and O—HO hydrogen bonds.
organic compounds
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In the title compound, C14H12ClNO3S·H2O, the dihedral angle between the sulfonyl and benzoyl benzene rings is 84.4 (2)°. In the crystal, every water molecule forms four hydrogen bonds with three different molecules of 4-chloro-N-(3-methylbenzoyl)benzenesulfonamide. One of the water H atoms forms a bifurcated hydrogen bond with both the sulfonyl and the carbonyl O atoms of the same molecule. Molecules are linked into layers in the ab plane through N—HO and O—HO hydrogen bonds.
organic compounds
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In the title compound, C11H12ClNO3, the conformation of the N—H bond in the amide segment is syn with respect to the ortho-Cl atom. The amide and carboxyl C=O groups are syn to each other. Furthermore, the C=O and O—H bonds of the carboxyl group are in syn positions with respect to each other. The dihedral angle between the benzene ring and the amide group is 47.8 (2)°. In the crystal, molecules are connected by pairs of O—HO hydrogen bonds, forming inversion dimers. The dimers are further linked by N—HO hydrogen bonds into double chains along the b-axis direction.
organic compounds
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In the title compound, C13H9ClN2O5S, the dihedral angle between the two benzene rings is 83.5 (1)°. In the crystal, molecules are linked via N—HO(S) hydrogen bonds into helical chains running along the b axis.
organic compounds
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In the title compound, C13H9ClN2O5S, the dihedral angle between the two rings is 71.2 (1)°. The crystal structure features inversion dimers linked by pairs of N—HO(S) hydrogen bonds.
organic compounds
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In the title compound, C13H10N2O5S, the N—C bond in the C—SO2—NH—C segment has gauche torsion angles with respect to the S=O bonds. The conformation between the N—H bond and the ortho-nitro group in the sulfonyl benzene ring is syn. The molecule is twisted at the S—N bond with a torsion angle of −63.4 (2)°. The sulfonyl benzene ring is tilted by 77.1 (1)° relative to the —SO2—NH—C—O segment. The dihedral angle between the sulfonyl and the benzoyl benzene rings is 88.6 (1)°. In the crystal, pairs of N—HO(S) hydrogen bonds link the molecules into inversion dimers, which are linked by weak C—HO and C—Hπ interactions along the b axis.
organic compounds
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In the title compound, C14H12N2O5S, the conformation between the N—H group and the ortho-nitro group in the sulfonyl benzene ring is syn and that between the C=O and meta-methyl groups in the benzoyl ring is anti. The molecule is twisted at the S—N bond with a torsion angle of 64.3 (2)°. The dihedral angle between the sulfonyl benzene ring and the —SO2—NH—C—O segment is 75.73 (7)° and that between the sulfonyl and benzoyl benzene rings is 89.5 (1)°. The crystal structure features inversion-related dimers linked by pairs of N—HO(S) hydrogen bonds.
organic compounds
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In the molecule of the title compound, C13H9ClN2O5S, the dihedral angle between the two aromatic rings is 84.3 (1)°. In the crystal, molecules are linked into chains via N—HO(S) hydrogen bonds.
metal-organic compounds
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In the title compound, [Ni(CH3CO2)2(C2H7NO)2], the NiII cation, located on an inversion center, is N,O-chelated by two 2-aminoethanol molecules and further coordinated by two monodendate acetate anions in a slightly distorted octahedral geometry. The latter is stabilized by intramolecular O—HO hydrogen bonds involving the non-coordinated O atom of the acetate and the H atom of the hydroxy group of the 2-aminoethanol ligand. In the crystal, N—HO hydrogen bonds link the molecules into a three-dimensional supramolecular framework that involves (a) the coordinated acetate O atom and one of the H atoms of the amino group and (b) the non-coordinated acetate O atom and the other H atom of the amino group.
organic compounds
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The asymmetric unit of the title compound, C14H12N2O5S, contains two independent molecules. The dihedral angles between the aromatic rings are 82.03 (9) and 79.47 (8)° in the two independent molecules. In the crystal, the two molecules in the asymmetric unit are linked into dimers via pairs of N—HO(S) hydrogen bonds to generate C(4) chains.
organic compounds
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In the title compound, C11H12ClNO3, the N—C=O fragment is twisted from the plane of the attached benzene ring by 48.39 (12)°. The carboxylic acid group is involved in O—HO hydrogen bonding, which links pairs of molecules into centrosymmetric dimers. N—HO hydrogen bonds link these dimers, related by translation along the a axis, into ribbons.
organic compounds
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In the title compound, C13H9ClN2O5S, the N—C bond in the C—SO2—NH—C segment has a gauche torsion with respect to the S=O bonds. The conformation between the N—H bond and the ortho-nitro group in the sulfonyl benzene ring is syn, and that between the C=O and the meta-Cl atom in the benzoyl ring is anti. The molecule is twisted at the S—N bond, with a torsion angle of 65.41 (38)°. The dihedral angle between the sulfonyl benzene ring and the –SO2—NH—C—O segment is 75.0 (1)°, and that between the sulfonyl and the benzoyl benzene ring is 89.1 (1)°. The crystal structure features inversion-related dimers linked by pairs of N—HO(S) hydrogen bonds.
organic compounds
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In the title compound, C11H12N2O5, the conformation of the N—H bond in the amide segment is syn to the ortho-nitro group in the benzene ring. The amide C=O and the carboxyl C=O of the acid segment are syn to each other and both are anti to the H atoms on the adjacent –CH2 groups. Furthermore, the C=O and O—H bonds of the acid group are in syn positions with respect to each other. The dihedral angle between the benzene ring and the amide group is 36.1 (1)°. The amide H atom shows bifurcated intramolecular hydrogen bonding with an O atom of the ortho-nitro group and an intermolecular hydrogen bond with the carbonyl O atom of another molecule. In the crystal, the N—HO(C) hydrogen bonds generate a chain running along the [100] direction. Inversion dimers are formed via a pair of O—HO(C) interactions, that form an eight-membered hydrogen-bonded ring involving the carboxyl group.
organic compounds
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In the crystal structure of the title compound, C11H12ClNO3, the asymmetric unit contains two independent molecules. The N—H bond in the amide segment is anti to the meta-Cl atom in the benzene ring, in both molecules. The amide and carboxyl C=O bonds are also anti to each other and anti to the H atoms on the adjacent –CH2 groups. Furthermore, the C=O and O—H bonds of the acid group are in syn positions with respect to each other. The dihedral angles between the benzene ring and the amide group are 40.6 (2) and 44.9 (3)° in the two independent molecules. In the crystal, molecules are packed into sheets parallel to the (11-3) plane through O—HO and N—HO hydrogen bonds.
organic compounds
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In the molecule of the title compound, C10H7ClN2O5, the acyclic C=C double bond is cis configured. The C=O and O—H bonds of the acid group are in a relatively rare anti position to each other, due to the donation of intramolecular hydrogen bond to the amide by the carboxyl group. The nitro group is significantly twisted [dihedral angle = 66.9 (3)°] out of the plane of the remaining atoms, which are almost coplanar (r.m.s. deviation for non-H atoms except the nitro group = 0.202 Å). In the crystal, N—HO hydrogen bonds link the molecules into zigzag chains running along the b axis.
organic compounds
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In the title compound, C14H12N2O5S, the dihedral angle between the nitrophenyl group and the –S—NH—C—O fragment is 80.74 (17)° and that between the nitrophenyl and methylphenyl groups is 87.66 (14)°. The C—S—N—C torsion angle at the S—N bond is −67.0 (3)°. In the crystal, molecules are linked into C(4) chains via N—HO hydrogen bonds.
organic compounds
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In the title compound, C11H10ClNO3, the dihedral angle between the benzene ring and the amide group is 6.6 (10)° and an intramolecular O—HO hydrogen bond occurs. In the crystal, molecules are linked by N—HO hydrogen bonds, generating C(7) zigzag chains.
organic compounds
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In the title compound, C10H9ClN2O5, the nitro group is significantly twisted out of the plane of the benzene ring to which it is attached [dihedral angle = 27.4 (6)°]. In the crystal, molecules are linked into centrosymmetric dimers via pairs of O—HO hydrogen bonds. These dimers are further linked by N—HO hydrogen bonds into double chains running along the a axis.
organic compounds
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The asymmetric unit of the title compound, C14H13NO3S, contains three independent molecules in which the dihedral angles between the sulfonyl and benzoyl benzene rings are 83.3 (2), 84.4 (2) and 87.6 (2)°. In the crystal, molecules are linked into chains running along the a axis via N—HO hydrogen bonds.
metal-organic compounds
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In the title compound, K+·C6H4BrN2O4S−·H2O, the K+ ion is hepta-coordinated by two O atoms from two different water molecules, three sulfonyl O atoms from three N-bromo-2-nitro-benzenesulfonamidate anions and two nitro O atoms from two N-bromo-2-nitro-benzenesulfonamidate anions. The S—N distance of 1.576 (4) Å is consistent with an S=N double bond. The crystal structure is stabilized by intermolecular O—HN and O—HBr hydrogen bonds which link the molecules into polymeric layers running parallel to the bc plane.
metal-organic compounds
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The asymmetric unit of the title salt, K+·C6H3BrCl2NO2S−·1.5H2O, contains one K+ cation, one N-bromo-2,4-dichlorobenzenesulfonamidate anion, one water molecule in general position and one water molecule located on a twofold rotation axis. The K+ cation is hepta-coordinated by three water O atoms and four sulfonyl O atoms from three symmetry-related N-bromo-2,4-dichlorobenzenesulfonamide anions. The S=N distance of 1.575 (3) Å is consistent with that of a double bond. In the crystal, the anions are linked by O—HBr and O—HN hydrogen bonds into layers parallel to the ac plane.
organic compounds
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In the title compound, C14H12ClNO3S, the C=O bond is syn to the Cl substituent in the adjacent benzene ring. The C—S—N—C torsion angle is −80.6 (6)°. The chlorobenzoyl ring is disordered and was refined using a split model [occupancy ratio 0.537 (3):0.463 (3)]. In the crystal, molecules are linked by pairs of N—HO(S) hydrogen bonds, forming inversion dimers.
organic compounds
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In the title compound, C13H10N2O5S, the C=O bond in the —SO2—NH—CO— segment is anti to the meta-nitro group in the benzoyl ring, while the N—C bond has gauche torsions with respect to the S=O bonds. The molecule is twisted at the N atom with a dihedral angle of 79.9 (2)° between the sulfonyl benzene ring and the —SO2—NH—CO— segment. Furthermore, the dihedral angle between the benzeneline rings is 86.9 (2)°. In the structure, the molecules are linked into helical chains along the b axis via N—HO hydrogen bonds.
organic compounds
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In the title compound, C11H12ClNO3, the dihedral angle between the benzene ring and the amide group is 44.9 (2)°. In the crystal, molecules form inversion dimers via pairs of O—HO hydrogen bonds. These dimers are further linked into sheets parallel to (013) via N—HO hydrogen bonds.
organic compounds
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In the crystal structure of the title compound, C11H13NO5S, the amide C=O and the carboxyl C=O groups of the acid segment orient themselves away from each other. The dihedral angle between the benzene ring and the amide group is 69.0 (2)°. In the crystal, N—HO and O—HO hydrogen bonds link the molecules into layers parallel to the bc plane.
organic compounds
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The title compound, C11H12ClNO3, crystallizes with two independent molecules in the asymmetric unit in which the dihedral angles between the benzene ring and the amide group are 55.0 (2) and 28.2 (3)°. The two independent molecules are linked by an N—HO hydrogen bond. In the crystal, molecules form inversion dimers via pairs of O—HO hydrogen bonds. These dimers are linked into sheets parallel to (11-3) via N—HO hydrogen bonds.
organic compounds
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The asymmetric unit of the title compound, C16H14Cl2N2O6S2·2H2O, contains one half-molecule of N,N-bis(4-chlorophenylsulfonyl)succinamide, with a centre of symmetry at the mid-point of the central C-C bond, and one water molecule. The succinamide molecules are not directly connected via hydrogen bonds, but by hydrogen bonds via the water molecules.
organic compounds
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The asymmetric unit of the title compound, C10H12N2OS, contains two independent molecules. In both molecules, the conformations of the two N—H bonds are anti to each other. Furthermore, the conformations of the amide C=S bonds and the C=O bonds are anti to each other. The dihedral angles between the benzene ring and the side chain are 52.8 (1) and 68.0 (1)° in the two independent molecules. An intramolecular N—HO hydrogen bond occurs in both independent molecules. In the crystal, molecules are linked into infinite chains along the a axis through a series of N—HO and N—HS hydrogen bonds.
organic compounds
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In the crystal structure of the title compound, C11H14N2OS, the conformation of the two N-H bonds is anti. The conformation of the C=S and the C=O bonds is also anti. Furthermore, the N-H bond adjacent to the benzene ring is anti to the ortho- and meta-methyl groups. The dihedral angle between the benzene ring and the side chain [N-C(= S)-N-C(=O)-C; maximum deviation = 0.047 (4) Å] is 81.33 (10)°. The NH hydrogen adjacent to the benzene ring and the amide O atom exhibit bifurcated intra- and intermolecular hydrogen bonding. In the crystal, molecules form inversion dimers, which are linked into chains via R22(12) and R22(8) networks.
organic compounds
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In the title compound, C11H14N2OS, the two N—H bonds are anti to each other and one of them is anti to the C=S and the other is syn. Further, the amide C=S and the C=O groups are anti to each other. The dihedral angle between the benzene ring and the side chain is 83.74 (5)°. An intramolecular N—HO hydrogen bond occurs. In the crystal, molecules are linked into inversion dimers by pairs of N—HS interactions.
organic compounds
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In the title compound, C9H8Cl2N2OS, the conformation of one of the N—H bonds is anti to the C=S group and the other is anti to the C=O group. Further, the conformations of the amide C=S and the C=O group are anti to each other. The 2,6-dichlorophenyl ring and the 3-acetylthiourea side chain are inclined to one another at a dihedral angle of 83.44 (5)°. An intramolecular N—HO hydrogen bond occurs. In the crystal, molecules form inversion dimers through pairs of N—HS hydrogen bonds.
organic compounds
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In the title compound, C11H14N2OS, the thioamide C=S and amide C=O bonds are anti to each other; the N—H bonds are also anti to each other. The molecular conformation is stabilized by an N—HO hydrogen bond. In the crystal, the molecules are linked into inversion dimers by pairs of N—HS hydrogen bonds.
organic compounds
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In the crystal structure of the title compound, C9H8Cl2N2OS, there are two molecules in the asymmetric unit which are connected by a pair of N—HS hydrogen bonds. An intramolecular N—HO hydrogen bond stabilizes the molecular conformation of each molecule.
organic compounds
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In the crystal structure of the title compound, C11H14N2OS, the two N—H bonds are anti to each other. There is an intramolecular N—HO hydrogen bond generating an S(6) ring motif.In the crystal, molecules are linked via N—HS hydrogen bonds with an R22(8) motif and N—HO hydrogen bonds with an R22(12) motif into chains running along [1-10].
organic compounds
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In the title compound, C11H11NO5S, the dihedral angle between the benzene ring and the amide group is 76.88 (6)°. In the crystal, N—HO(S) and O—HO hydrogen bonds connect the molecules into hydrogen-bonded layers perpendicular to the a axis.
organic compounds
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In the crystal structure of the title compound, C10H12N2OS, the conformation of the two N—H bonds are anti to each other. The amide C=O and the C=S are are also anti to each other. The N—H bond adjacent to the benzene ring is syn to the m-methyl groups. The dihedral angle between the benzene ring and the side chain [mean plane of atoms C—C(O)N—C—N; maximum deviation 0.029 (2) Å] is 14.30 (7)°. There is an intramolecular N—HO hydrogen bond generating an S(6) ring motif. In the crystal, the molecules are linked via N—H) hydrogen bonds, forming chains propagating along [001]. The S atom is disordered and was refined using a split model [occupancy ratio 0.56 (4):0.44 (4)].
organic compounds
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In the title compound, C12H9ClN2O4S, the N—H bond in the –SO2—NH– segment is syn to both the ortho-nitro group in the sulfonylbenzene ring and the ortho-Cl atom in the aniline ring. The molecule is twisted at the S—N bond with a torsion angle of 75.0 (2)°. The dihedral angle between the sulfonylbenzene and aniline rings is 54.97 (11)°. The amide H atom shows bifurcated hydrogen bonding, generating S(7) and C(4) motifs. In the crystal, N—HO(S) hydrogen bonds link the molecules into chains.
organic compounds
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In the title compound, C12H9ClN2O4S, the dihedral angle between the aromatic rings is 73.65 (7)°. The amide H atom shows bifurcated hydrogen bonding, generating an intramolecular S(7) and an intermolecular C(4) motif.
organic compounds
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In the title compound, C12H9ClN2O4S, the dihedral angle between the aromatic rings is 70.27 (8)°. In the crystal, molecules are linked by pairs of N—HO(S) hydrogen bonds, forming inversion dimers.
organic compounds
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In the title compound, C13H12N2O4S, the dihedral angle between the benzene rings is 73.64 (7)°. The amide H atom exhibits bifurcated hydrogen bonding: an intramolecular N—HO hydrogen bond generates an S(7) motif while in the crystal, N—HO(S) hydrogen bonds link the molecules into zigzag C(4) chains running along the b axis.
organic compounds
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In the title compound, C13H12N2O4S, the dihedral angle between the benzene rings is 53.44 (14)°. The amide H atom exhibits bifurcated hydrogen bonding: an intramolecular N—HO hydrogen bond generates an S(7) motif while in the crystal, N—HO(S) hydrogen bonds link the molecules into zigzag C(4) chains along the c axis.
organic compounds
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In the title compound, C12H10N2O4S, the conformation of the N—H bond in the –SO2—NH– fragment is syn to the ortho-nitro group in the sulfonylbenzene ring. The molecule is twisted at the S—N bond, the C—N—S—C torsion angle being −72.83 (15)°. The dihedral angle between the benzene rings is 59.55 (7)°. The amide H atom and the nitro group O atom form an intramolecular hydrogen bond, generating an S(7) motif. In the crystal, C—HO hydrogen-bond interactions link the molecules into S22(10) networks.
organic compounds
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In the crystal of the title compound, C13H12N2O4S, the conformation of the N—H bond in the –SO2—NH– segment is syn to the ortho-nitro group in the sulfonyl benzene ring. The molecule is twisted at the S—N bond with a torsion angle of 76.55 (18)°. The dihedral angle between the planes of the rings is 72.64 (8)°. In the crystal, molecules are linked by pairs of N—HO(S) hydrogen bonds to form inversion dimers.
organic compounds
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In the title compound, C13H12N2O4S, the dihedral angle between the planes of the rings is 51.11 (10)°. In the crystal, molecules are linked into inversion dimers through pairs of N—HO(S) hydrogen bonds.
organic compounds
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The asymmetric unit of the title compound, C14H14N2O4S, consists of two crystallographically independent molecules. The molecules are twisted at the S—N bonds with C—S—N—C torsion angles of 44.2 (3) and −49.3 (3)°. The dihedral angles between the benzene rings in the two molecules are 71.53 (7) and 72.11 (7)°. The amide H atoms exhibit bifurcated intra- and intermolecular hydrogen bonds; the intramolecular N—HO(N) hydrogen bonds generate S(7) motifs. In the crystal, the independent molecules are separately connected through the intermolecular N—HO(S) hydrogen bonds, generating a C(4) motif and a helical chain along the b axis for one molecule and an R22(8) motif and an inversion dimer for the other. The crystal studied was a pseudo-merohedral twin with twin law (-100/0-10/001), the refined ratio of the twin domains being 0.7876 (12):0.2124 (12).
organic compounds
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In the title compound, C12H10N2O4S, the dihedral angle between the aromatic rings is 36.19 (18)°. In the crystal, N—HO hydrogen bonds link the molecules into C(4) chains running along the a axis.
organic compounds
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There are two independent molecules in the asymmetric unit of the title compound, C14H14N2O4S. The N—H bonds are syn to the ortho-nitro groups in the sulfonyl benzene rings and anti to the methyl groups in the aniline benzene rings. The molecules are twisted at the S—N bonds with torsion angles of −60.4 (3) and 58.8 (3)° in the two molecules. The dihedral angles between the planes of the sulfonyl and the anilino benzene rings are 53.67 (8) and 56.99 (9)°. The amide H atoms of both molecules are involved in an intramolecular hydrogen bond, generating an S(7) motif. In the crystal, pairs of N—HO(S) hydrogen bonds link like molecules into inversion dimers.
organic compounds
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There are two independent molecules in the asymmetric unit of the title compound, C12H9ClN2O4S, in which the dihedral angles between the planes of the benzene rings are 46.90 (14) and 44.50 (14)°. In the crystal, N—HO hydrogen bonds link the molecules into zigzag chains parallel to the a axis.
organic compounds
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There are two independent molecules in the asymmetric unit of the title compound, C14H14N2O4S, in which the dihedral angles between the benzene rings are 56.22 (15) and 58.16 (14)°. In the crystal, N—HOnitro hydrogen bonds link the molecules into zigzag chains running along the a-axis direction.
organic compounds
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In the crystal structure of the title compound, C14H14N2O4S, the N—H bond is syn to the ortho-nitro group in the sulfonyl benzene ring and anti to the ortho- and syn to the meta-methyl groups in the aniline ring. The molecule is twisted at the S—N bond with a torsion angle of 71.41 (18)°. The dihedral angle between the planes of the benzene rings is 51.07 (8)°. In the crystal, pairs of N—HOsulfonamide hydrogen bonds link the molecules into inversion dimers.
organic compounds
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In the title compound, C12H8Cl2N2O4S, the C—S—N—C torsion angle is 49.34 (18)° and the dihedral angle between the benzene rings is 71.92 (10)°. The amide H atom exhibits bifurcated hydrogen bonding. The N—H bond is syn to the ortho-nitro group enabling the formation of an S(7) loop. In the crystal, pairs of N—HO(S) hydrogen bonds link the molecules into inversion dimers via R22(8) rings.
organic compounds
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In the title compound, C12H9ClN2O4S, the dihedral angle between the benzene rings is 70.60 (11)°. An intramolecular N—HCl contact occurs. In the crystal, molecules form inversion dimers via pairs of N—HO hydrogen bonds.