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N-Cyclo-hexyl-4-[(2-nitro-anilino)-meth-yl]thio-phene-2-sulfonamide.

ABSTRACT: In the title compound, C(17)H(21)N(3)O(4)S(2), an intra-molecular N-H?O hydrogen bond involving the proximate amine and nitro groups is observed. In the crystal, inter-molecular N-H?O hydrogen bonds involving the amine and SO(2) groups occur. One of the notro O atoms is disordered over two conformations with occupancies of 0.578?(12) and 0.422?(12).

SUBMITTER: He YX

PROVIDER: S-EPMC3201483 | BioStudies | 2011-01-01T00:00:00Z

REPOSITORIES: biostudies

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2,8,9-Tris(2-methyl-prop-yl)-2,5,8,9-tetra-aza-1?(5)-phosphatricyclo-[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate.

Project description:The asymmetric unit of the title hydrated salt, C18H40N4P(+)·Cl(-)·2H2O, consists of two ionic mol-ecules and four water mol-ecules. The mol-ecular geometry around the penta-coordinate P atom is trigonal-bipyramidal, with a H atom and an apical N atom in axial positions and three N atoms with isobutyl substituents in equatorial positions. The Cl(-) ions and water mol-ecules are connected via O-H?Cl hydrogen bonds, forming chains along [100]. The ethyl-ene bridging groups are disordered with refined site-occupancy ratios of 0.578?(9):0.422?(9).

1000-01-01 | S-EPMC3588925 | BioStudies

2,5-Dichloro-N-cyclo-hexyl-benzene-sulfonamide.

Project description:The structure of the title sulfonamide, C(12)H(15)Cl(2)NO(2)S, features a distorted tetra-hedral geometry for the S atom [maximum deviation: O-S-O = 120.23?(14)°]. One of the sulfonamide O atoms is coplanar with the benzene ring [C-C-S-O torsion angle = -174.5?(2)°], whereas the other lies well above the plane [C-C-S-O = 57.0?(3)°]. A chair conformation is found for the cyclo-hexyl ring. In the crystal, supra-molecular chains aligned along the c axis are formed via N-H?O hydrogen bonds; these are consolidated in the three-dimensional packing by C-H?O contacts involving the second sulfonamide O atom.

2010-01-01 | S-EPMC2983123 | BioStudies

4-(2,3-Dimethyl-anilino)pent-3-en-2-one.

Project description:In the title compound, C(13)H(17)NO, the dihedral angle between the aryl ring and the amino-acryl-aldehyde mean plane [N-C=C-C=O; maximum deviation = 0.0144?(9)?Å] is 53.43?(4)°. There is an intra-molecular N-H?O hydrogen bond involving the amine and carbonyl groups. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along [001].

1000-01-01 | S-EPMC3470305 | BioStudies

Crystal structure of diethyl 2-amino-5-{4-[bis-(4-methyl-phen-yl)amino]-benzamido}-thio-phene-3,4-di-carboxyl-ate.

Project description:In the title compound, C31H31N3O5S, the regioselective substitution of the thio-phene is confirmed with the amine and the amide at the 2- and 5-positions, respectively. In the mol-ecule, the thio-phene ring is twisted by 12.82 (3)° with respect to the aromatic ring of the benzamido group. Intra-molecular N-H⋯O hydrogen bonds are present involving the N atoms of the primary amine and the amide groups, forming S(6) ring motifs. In the crystal, centrosymmetrically related mol-ecules are linked by pairs of N-H⋯O hydrogen bonds involving the amide carbonyl O atoms and the primary amine N atoms to form dimers of R 2 2(16) ring motif.

2019-01-01 | S-EPMC6505590 | BioStudies

N-Cyclo-hexyl-N-propyl-benzene-sulfonamide.

Project description:The title compound, C(15)H(23)NO(2)S, synthesized by N-methyl-ation of cyclo-hexyl-amine sulfonamide with propyl iodide, is of inter-est as a precursor to biologically active sulfur-containing heterocyclic compounds. The cyclo-hexyl ring exists in the chair form and the dihedral angle between the ring plane of the benzene ring and that of the cyclo-hexyl ring is 50.13?(9)°.

1000-01-01 | S-EPMC2971915 | BioStudies

N-Cyclo-hexyl-N-ethyl-benzene-sulfonamide.

Project description:The title compound, C(14)H(21)NO(2)S, synthesized by N-methyl-ation of cyclo-hexyl-amine sulfonamide with ethyl iodide is of inter-est as a precursor to biologically active sulfur-containing heterocyclic compounds. There are two independent mol-ecules in the asymmetric unit. The dihedral angles between the mean planes of the phenyl ring and the cyclo-hexyl ring are 40.29?(11) and 37.91?(13)° in the two mol-ecules.

1000-01-01 | S-EPMC2971250 | BioStudies

(Z)-4-(2-Hy-droxy-anilino)pent-3-en-2-one.

Project description:In the title compound, C(11)H(13)NO(2), the dihedral angle between the planes defined by the 2-hy-droxy-phenyl-amino group and the pent-3-en-2-one mean plane [maximum deviations = 0.0275?(19) and 0.054?(2)?Å, respectively] is 31.01?(10)°. There are intra-molecular bifurcated N-H?(O,O) hydrogen bonds involving the amine NH group and the adjacent carbonyl and hy-droxy O atoms. In the crystal, mol-ecules are linked via O-H?O hydrogen bonds, forming chains propagating along [100].

1000-01-01 | S-EPMC3393989 | BioStudies

N-(3,4-Difluoro-phen-yl)-3,4-dimethoxy-benzene-sulfonamide.

Project description:In the title sulfonamide derivative, C(14)H(13)F(2)NO(4)S, the dihedral angle between the benzene rings is 66.05?(9)°. The crystal structure is stabilized by weak inter-molecular N-H?O hydrogen bonds involving the amine and meth-oxy groups, which link the mol-ecules into a one-dimensional chain. No significant inter-chain contacts are observed.

1000-01-01 | S-EPMC2961509 | BioStudies

(Z)-3-({[3-Meth-oxy-5-(tri-fluoro-meth-yl)phen-yl]imino}meth-yl)benzene-1,2-diol.

Project description:The title compound, C15H12F3NO3, crystallizes with one mol-ecule in the asymmetric unit. The mean planes of the two phenyl rings of the Schiff base moiety, bearing the OH groups and the imine group, respectively, are inclined to each other by 4.91 (1)°. In the crystal, mol-ecules are linked via pairs of bifurcated O-H⋯O hydrogen bonds between the phenol OH groups, forming inversion dimers with an R 1 2(5) ring motif. The structure exhibits also intra-molecular O-H⋯N and C-H⋯F hydrogen-bonding inter-actions. Hirshfeld surfaces analysis and two-dimensional fingerprint plots were applied to qu-antify the inter-molecular inter-actions. The three F atoms of the tri-fluoro-methyl group are disordered over two sets of sites, with occupancy factors of 0.578 (8) and 0.422 (8). The crystal studied was refined as an inversion twin.

2019-01-01 | S-EPMC6509687 | BioStudies

4-{(4Z)-4-[(2Z)-3-(4-Fluoro-anilino)-1-hy-droxy-but-2-en-1-yl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-benzene-sulfonamide.

Project description:In the title compound, C(20)H(19)FN(4)O(4)S, the pyrazole and benzene-sulfonamide rings are coplanar [dihedral angle = 5.02?(15)°] but this planarity does not extend over the entire mol-ecule, the dihedral angle between the terminal six-membered rings being 33.24?(14)°. Intra-molecular hy-droxy-hy-droxy O-H?O and amine-hy-droxy N-H?O hydrogen bonds, as a well as a tight C-H?O(carbon-yl) inter-action, lead to a sequence of three fused S(6) rings. Supra-molecular chains along the a axis feature in the crystal packing; these chains are stabilized by amine-sulfonamide N-H?O and amine-pyrazole N-H?N hydrogen bonds.

1000-01-01 | S-EPMC3295527 | BioStudies

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