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4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-sulfonamide.

ABSTRACT: The two aromatic rings of the title compound, C(11)H(13)N(3)O(2)S, are inclined at an angle of 47.81?(4)°. The N atom of the amino unit is pyramidally coordinated; one H atom inter-acts with the sulfamyl O atom of an adjacent mol-ecule, forming a centrosymmetric hydrogen-bonded dimer. The dimers are linked by N-H?N hydrogen bonds, generating a three-dimensional network.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3200907 | BioStudies | 2011-01-01T00:00:00Z

REPOSITORIES: biostudies

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N-(3,5-Dichloro-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(14)H(13)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment has gauche torsions with respect to the S=O bonds. The mol-ecule is bent at the N atom, with an C-SO(2)-NH-C torsion angle of -54.9?(3)°. The two benzene rings are tilted relative to each other by 82.3?(2)°. The mol-ecules are linked into centrosymmetric R(2) (2)(8) motifs by N-H?O hydrogen bonds and C-H?? inter-actions along [100].

2010-01-01 | S-EPMC2979206 | BioStudies

N-(2,6-Dimethyl-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:Mol-ecules of the title compound, C(16)H(19)NO(2)S, are bent at the S atom with a C-SO(2)-NH-C torsion angle of -60.0?(2)°. The dihedral angle between the phenyl-sulfonyl and aniline rings is 41.7?(1)°. In the crystal, mol-ecules are packed into centrosymmetric dimers through pairs of N-H?O(S) hydrogen bonds.

1000-01-01 | S-EPMC3200847 | BioStudies

N-(3,5-Dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(14)H(15)NO(2)S, the mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of 67.9?(2)°. The two benzene rings are tilted by 54.6?(1)° relative to each other. In the crystal, inter-molecular N-H?O hydrogen bonds pack the mol-ecules into a supra-molecular structure.

1000-01-01 | S-EPMC2971996 | BioStudies

Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(o-tol-yl)methanone]palladium(II).

Project description:In the title compound, [PdCl(2)(C(5)H(8)N(2))(C(12)H(12)N(2)O)], the Pd atom adopts a slightly distorted trans-PdCl(2)N(2) square-planar arrangement. The different Pd-N bond lengths can be related to the the electron-withdrawing effect of the o-toluoyl group on the substituted pyrazole ligand. The complex crystallizes as centrosymmetric hydrogen-bonded dimers through N-H?Cl linkages.

2007-01-01 | S-EPMC2915136 | BioStudies

N-(3-Chloro-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:In the mol-ecule of the title compound, C(14)H(14)ClNO(2)S, the N-H bond is in a syn position with respect to the meta-Cl atom in the aniline ring. The mol-ecule is twisted about the N-S bond with a C-SO(2)-NH-C torsion angle of 44.55?(17)°. The two aromatic rings are inclined relative to each other by 66.2?(1)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into infinite chains parallel to the b axis.

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Project description:In the title compound, C(16)H(19)NO(2)S, the mol-ecule is twisted about the S-N bond, the C-S(O(2))-N(H)-C torsion angle being 53.9?(2)°. The dihedral angle between the two benzene rings is 82.1?(1)°. The crystal structure features inversion-related dimers linked by N-H?O hydrogen bonds.

1000-01-01 | S-EPMC2972036 | BioStudies

Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3?(6)° in (I), 42.1?(2)° in (II) and 54.4?(3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H?O hydrogen bonds and C-H?? inter-actions. The crystal structure of (I) features N-H?O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H?O inter-actions, forming a three-dimensional architecture. The structure also features ?-? inter-actions [Cg?Cg = 3.6970?(14)?Å]. In (II), N-H?O hydrogen-bonded R22(8) loops are inter-connected via ?-? inter-actions [inter-centroid distance = 3.606?(3)?Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H?O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H?? inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset ?-? inter-actions [inter-centroid distance = 3.8303?(16)?Å] to form a three-dimensional architecture.

2017-01-01 | S-EPMC5418781 | BioStudies

N-(3,5-Dimethyl-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C(14)H(14)N(2)O(4)S, consists of two crystallographically independent mol-ecules. The mol-ecules 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 mol-ecules are 71.53?(7) and 72.11?(7)°. The amide H atoms exhibit bifurcated intra- and inter-molecular hydrogen bonds; the intra-molecular N-H?O(N) hydrogen bonds generate S(7) motifs. In the crystal, the independent mol-ecules are separately connected through the inter-molecular N-H?O(S) hydrogen bonds, generating a C(4) motif and a helical chain along the b axis for one mol-ecule and an R(2) (2)(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).

1000-01-01 | S-EPMC3470185 | BioStudies

[?-1,3-Bis(3,5-dimethyl-1H-pyrazol-1-yl-?N)propan-2-olato-?O:O]bis-[(ethanol-?O)zinc(II)] bis-(perchlorate).

Project description:In the centrosymmetric dinuclear title complex, [Zn(2)(C(13)H(19)N(4)O)(2)(C(2)H(5)OH)(2)](ClO(4))(2), the Zn(II) atom is in a distorted trigonal-bipyramidal coordination geometry. The equatorial plane is constructed by one N atom and one O atom from two 1,3-bis-(3,5-dimethyl-pyrazol-1-yl)propan-2-olate (bppo) ligands and one O atom from an ethanol mol-ecule. One N atom and one O atom from the two bppo ligands occupy the axial positions. Inter-molecular O-H?O hydrogen bonds between the ethanol mol-ecules and perchlorate anions, and O?? inter-actions between the perchlorate anions and pyrazole rings [O?centroid distances = 3.494?(3) and 3.413?(3)?Å], lead to a chain structure along [010].

1000-01-01 | S-EPMC3011605 | BioStudies

2,4-Dichloro-N-(3,5-dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the crystal of the title compound, C(14)H(13)Cl(2)NO(2)S, the N-H bond in the C-SO(2)-NH-C segment is syn to one of the meta-methyl groups in the aniline benzene ring and anti to the other. Further, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the S=O bonds. The C-SO(2)-NH-C torsion angle is 54.9?(2)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 82.8?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds. There are also weak C-H?O hydrogen bonds between these dimers.

1000-01-01 | S-EPMC3247580 | BioStudies

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