Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(4-Chloro-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

ABSTRACT: The title compound, C(9)H(9)ClN(2)O(5)S, is of inter-est as a precursor to biologically active substituted quinolines and related compounds. The structure displays inter-molecular C-H?O inter-actions. Each mol-ecule is linked to two adjacent neighbours via weak centrosymmetric dimer-forming inter-actions, forming chains in the [101] direction.

SUBMITTER: Zia-Ur-Rehman M

PROVIDER: S-EPMC2959785 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-Chloro-N-[(2-methyl-phen-yl)sulfon-yl]acetamide.

Project description:In the title compound, C(9)H(10)ClNO(3)S, the amide H atom is syn with respect to the ortho-methyl group in the benzene ring and the C-S-N-C torsion angle is -66.9 (2)°. An intra-molecular N-H⋯Cl hydrogen bond occurs. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC3051983 | biostudies-literature

N-(4-Meth-oxy-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

Project description:In the title compound, C(10)H(12)N(2)O(6)S, the nitro group is twisted slightly out of the plane of the aromatic ring, forming a dihedral angle of 20.79 (1)°. In the crystal, the mol-ecules arrange themselves as a chain along the a axis through inter-molecular C-H⋯O inter-actions.

| S-EPMC2977642 | biostudies-literature

N-[(4-Chloro-phen-yl)sulfon-yl]acetamide.

Project description:The asymmetric unit of the title compound, C(8)H(8)ClNO(3)S, consists of two crystallographically independent mol-ecules (A and B). The dihedral angles between the benzene ring and amide C-C(=O)-NH- plane are 87.6 (3) (mol-ecule A) and 86.0 (3)° (mol-ecule B). In the crystal, the independent mol-ecules are alternately linked by N-H⋯O hydrogen bonds into an infinite chain along the b axis. Short inter-molecular Cl⋯Cl contacts [3.2882 (5) and 3.2812 (5) Å] are also observed.

| S-EPMC3435654 | biostudies-literature

N-[(4-Methyl-phen-yl)sulfon-yl]acetamide.

Project description:In the title compound, C(9)H(11)NO(3)S, the dihedral angle between the benzene ring and the amide group is 76.7 (3)°. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds into inversion dimers with R(2) (2)(8) ring motifs. The dimers are further connected by N-H⋯O and C-H⋯O hydrogen bonds into an infinite tape running parallel to the b-axis direction.

| S-EPMC3393294 | biostudies-literature

2-Chloro-N-[2-(2-fluoro-benzo-yl)-4-nitro-phen-yl]-N-methyl-acetamide.

Project description:The title compound, C(16)H(12)ClFN(2)O(4), crystallizes with two mol-ecules in the asymmetric unit in which the dihedral angles between the mean planes of the two benzene rings are 65.1 (7) and 65.6 (6)°. In each mol-ecule, the nitro group displays rotational disorder over two orientations in a 0.503 (11):0.497 (11) ratio and the Cl atom is disordered in a 0.432 (5):0.568 (5) ratio. In one mol-ecule, the F atoms is statistically disordered over two positions. The crystal packing features weak inter-molecular C-H⋯O and C-H⋯Cl inter-actions, which form a layered network.

| S-EPMC3200782 | biostudies-literature

N-[(2-Chloro-phen-yl)sulfon-yl]-3-nitro-benzamide.

Project description:In the title compound, C13H9ClN2O5S, the dihedral angle between the benzene rings is 74.86 (11)°. The mol-ecule is twisted at the S atom, with a dihedral angle of 82.53 (13)° between the sulfonyl benzene ring and the S-N-C=O segment. In the crystal, mol-ecules are linked into inversion dimers through pairs of N-H⋯O hydrogen bonds, thereby forming R 2 (2)(8) loops. Mol-ecules are linked into C(7) [010] chains by weak C-H⋯O hydrogen bonds, and C-H⋯π inter-actions are also observed.

| S-EPMC3770368 | biostudies-literature

Methyl (R)-2-(2-chloro-phen-yl)-2-(3-nitro-phenyl-sulfon-yloxy)acetate.

Project description:The reaction between methyl (R)-2-(2-chloro-phen-yl)-2-hy-droxy-acetate and 3-nitro-benzene-sulfonyl chloride gave the title compound, C(15)H(12)ClNO(7)S, which is a promising inter-mediate for the synthesis of Clopidrogel, an anti-platelet drug used in the prevention of strokes and heart attacks. In the crystal, mol-ecules are linked through C-H?O interactions, and there is also a short Cl?O contact present [Cl?O = 3.018?(2)?Å].

| S-EPMC3379285 | biostudies-literature

N-(4-Chloro-phenyl-sulfon-yl)-2,2,2-tri-methyl-acetamide.

Project description:In the crystal structure of the title compound (N4CPSTMAA), C(11)H(14)ClNO(3)S, the conformations of the N-H and C=O bonds in the amide group are anti to each other, similar to those observed in N-phenyl-sulfonyl-2,2,2-trimethyl-acetamide (NPSTMAA) and 2,2,2-trimethyl-N-(4-methyl-phenyl-sulfon-yl)acetamide (N4MPSTMAA). The bond parameters in N4CPSTMAA are similar to those in NPSTMAA, N4MPSTMAA, N-aryl-2,2,2-trimethyl-acetamides and 4-chloro-benzene-sulfonamide. The -SNHCOC- unit including the amide group is essentially planar and makes a dihedral angle of 82.2 (1)° with the benzene ring, comparable to the values of 79.1 (1) and 71.2 (1)° in NPSTMAA and N4MPSTMAA, respectively. The mol-ecules in N4CPSTMAA are linked into a chain by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2961760 | biostudies-literature

2-Chloro-N-(3-methyl-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the structure of the title compound, C(9)H(10)ClNO, is syn to the meta-methyl group, in contrast to the anti conformation observed with respect to the meta-nitro group in 2-chloro-N-(3-nitro-phen-yl)-acetamide. The asymmetric unit of the title compound contains two mol-ecules. The geometric parameters of the title compound are similar to those of 2-chloro-N-(4-methyl-phen-yl)-acetamide, 2-chloro-N-(3-nitro-phen-yl)acetamide and other acetanilides. Dual inter-molecular N-H⋯O hydrogen bonds link the mol-ecules in the direction of the a axis.

| S-EPMC2915269 | biostudies-literature

N-(4-Chloro-pyridin-2-yl)-N-(4-methyl-phenyl-sulfon-yl)acetamide.

Project description:The crystal structure of the title compound, C(14)H(13)ClN(2)O(3)S, features a three-dimensional network stabilized by inter-molecular C-H?O hydrogen bonds between the mol-ecules. The 4-methyl-phenyl-sulfonyl ring forms a dihedral angle of 30.6?(1)° with the 4-chloro-pyridine ring.

| S-EPMC3011710 | 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