Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-{1-[(2-Nitro-benzene-sulfonamido)-meth-yl]cyclo-hexyl}acetic acid.

ABSTRACT: In the title compound, C(15)H(20)N(2)O(6)S, the C-SO(2)-NH-C torsion angle is 64.54?(14)°. In the mol-ecule, there is a bifurcated N-H?(O,O) hydrogen bond, forming S(7) rings. In the crystal, inversion dimers are formed via O-H?O hydrogen bonds involving the carboxyl group, so forming R(2) (2)(8) rings. These dimers are further linked via pairs of C-H?O hydrogen bonds, forming a C(6) chain propagating along the c-axis direction.

SUBMITTER: Kanwal N

PROVIDER: S-EPMC3254438 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-{1-[(2-Nitro-benzene-sulfonamido)-meth-yl]cyclo-hexyl}acetic acid.

Kanwal Nosheen N Akbar Hussain Erum E Sahin Onur O Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20111210 Pt 1

In the title compound, C(15)H(20)N(2)O(6)S, the C-SO(2)-NH-C torsion angle is 64.54 (14)°. In the mol-ecule, there is a bifurcated N-H⋯(O,O) hydrogen bond, forming S(7) rings. In the crystal, inversion dimers are formed via O-H⋯O hydrogen bonds involving the carboxyl group, so forming R(2) (2)(8) rings. These dimers are further linked via pairs of C-H⋯O hydrogen bonds, forming a C(6) chain propagating along the c-axis direction. ...[more]

PMID: 22259585

Similar Datasets

4-[(4-Meth-oxy-benzene-sulfonamido)-meth-yl]cyclo-hexane-1-carb-oxy-lic acid.

Project description:In the title compound, C(15)H(21)NO(5)S, two crystallographically independent mol-ecules are linked into a dimer by a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal, mol-ecules are further linked by inter-molecular O-H⋯O hydrogen bonds into a two-dimensional network parallel to (012). Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3200917 | biostudies-literature

N-Cyclo-hexyl-4-meth-yl-N-propyl-benzene-sulfonamide.

Project description:The title compound, C(16)H(25)NO(2)S, is a sulfonamide derivative with the substitution of propyl and cyclo-hexyl groups at the N atom. The least-squares plane through all six C atoms of the cyclo-hexyl ring forms a dihedral angle of 58.88?(12)° with the toluene ring. No hydrogen-bonding inter-actions are present in the crystal structure.

| S-EPMC2983795 | biostudies-literature

2-(Benzene-sulfonamido)acetic acid.

Project description:The title compound, C(8)H(9)NO(4)S, is of inter-est as a precursor to biologically active sulfur-containing heterocyclic cmpounds. The crystal structure displays the classical O-H⋯O inter-molecular hydrogen bonding typical for carboxylic acids forming dimers. Symmetry-related dimers are, in turn, linked through head-to-tail pairs of inter-molecular N-H⋯O inter-actions, giving rise to a zigzag chain along the c axis.

| S-EPMC2959830 | biostudies-literature

4-[(4-Methyl-benzene-sulfonamido)-meth-yl]cyclo-hexa-necarb-oxy-lic acid.

Project description:The title compound, C(15)H(21)NO(4)S, crystallized with two independent mol-ecules in the asymmetric unit in which the dihedral angles between the mean planes of the benzene and cyclo-hexane rings are 78.3?(2) and 67.6?(2)°. The substituents of the cyclo-hexyl rings are in equatorial orientations. In the crystal, both mol-ecules form R(2) (2)(6) carb-oxy-lic acid inversion dimers via pairs of O-H?O hydrogen bonds. Further N-H?O and C-H?O inter-actions generate a three-dimensional network.

| S-EPMC3151904 | biostudies-other

2-(4-Bromo-benzene-sulfonamido)acetic acid.

Project description:The title compound, C(8)H(8)BrNO(4)S, a halogenated sulfon-amide, was prepared by basic hydrolysis of the methyl ester. In the crystal, mol-ecules form centrosymmetric hydrogen-bonded dimers via the carboxyl groups. These dimers are further linked by N-H?O inter-actions involving the carbonyl O and amide H atoms, forming a ribbon-like structure propagating in [010]. These ribbons are further linked via C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC2977417 | biostudies-literature

N-Cyclo-hexyl-4-meth-oxy-benzene-sulfonamide.

Project description:In the title mol-ecule, C(13)H(19)NO(3)S, the S atom has a distorted tetra-hedral geometry with an O-S-O bond angle of 120.39 (18)°. The cyclo-hexane ring has a chair conformation. In the crystal, mol-ecules are connected by inter-molecular N-H⋯O hydrogen bonds, forming zigzag hydrogen-bonded chains directed along the c axis.

| S-EPMC3099924 | biostudies-literature

2-(5-Cyclo-hexyl-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:In the title compound, C(19)H(24)O(3)S, the cylohexyl ring adopts a chair conformation. In the crystal, molecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers. These dimers are further stabilized by weak inter-molecular C-H?? inter-actions, and by slipped ?-? inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.557?(2)?Å, inter-planar distance = 3.301?(2)?Å and slippage = 1.325?(2)?Å].

| S-EPMC3275074 | biostudies-literature

2-(5-Cyclo-hexyl-3-methyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:In the title compound, C(17)H(20)O(3)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, the carboxyl groups are involved in inter-molecular O-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further stabilized by weak inter-molecular C-H⋯O hydrogen bonds. In addition, the crystal structure also exhibits aromatic π-π inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.505 (2) Å, inter-planar distance = 3.385 (2) Å and slippage = 0.909 (2) Å], and inter-molecular C-H⋯π inter-actions.

| S-EPMC3212340 | biostudies-literature

2-(N-Cyclo-hexyl-carbamo-yl)benzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C(13)H(18)N(2)O(3)S, contains two mol-ecules with similar conformations. In both mol-ecules, the cyclo-hexyl rings adopt chair conformations, with the attached N atom in an equatorial orientation and an intra-molecular N-H?O hydrogen bond generates an S(7) ring. In the crystal, N-H?O hydrogen bonds link the mol-ecules and a C-H?O hydrogen bond is also observed. The crystal studied was a racemic twin.

| S-EPMC3275049 | biostudies-literature

2-(4-Methyl-benzene-sulfonamido)-2-phenyl-acetic acid.

Project description:In the title compound, C(15)H(15)NO(4)S, the dihedral angle between the phenyl and benzene rings is 46.0 (3)° and a weak intra-molecular N-H⋯O inter-action is present. The crystal structure is stabilized by inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2971098 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data