Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Buhler S

PROVIDER: S-EPMC3011710 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Bühler Stefanie S Schollmeyer Dieter D Albrecht Wolfgang W Laufer Stefan S

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

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. ...[more]

PMID: 21589597

Similar Datasets

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

N-(2-Chloro-phenyl-sulfon-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(8)H(8)ClNO(3)S, contains two independent mol-ecules in which the C-S-N-C torsion angles are -71.7?(3) and 61.2?(3)°. The benzene rings and the SO(2)-NH-CO-C segments form dihedral angles of 80.2?(1) and 88.1?(2)° in the two independent mol-ecules. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains in the b-axis direction.

| S-EPMC3089153 | biostudies-literature

N-(2-Methyl-phenyl-sulfon-yl)acetamide.

Project description:In the mol-ecular structure of the title compound, C(9)H(11)NO(3)S, the N-H and C=O bonds are anti to each other, while the amide H atom is syn with respect to the ortho-methyl group in the benzene ring. The C-S-N-C torsion angle is -58.2?(2)°, indicating a twist in the mol-ecule. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3089077 | biostudies-literature

2,2-Dichloro-N-(4-chloro-phenyl-sulfon-yl)-acetamide.

Project description:In the crystal structure of the title compound (N4CPSDCAA), C(8)H(6)Cl(3)NO(3)S, the conformations of the N-H and C=O bonds in the SO(2)-NH-CO-C group are trans to each other, similar to those observed in 2,2-dichloro-N-(phenyl-sulfon-yl)-acetamide (NPSDCAA), 2,2-dichloro-N-(4-methyl-phenyl-sulfon-yl)acetamide (N4MPSDCAA) and N-(4-chloro-phenyl-sulfon-yl)-2,2,2-trimethyl-acetamide (N4CPSTMAA), with similar bond parameters. The -SNHCOC- unit in N4CPSDCAA is essentially planar and makes a dihedral angle of 79.67?(5)° with the benzene ring, comparable to 79.75?(8)° in NPSDCAA, 81.02?(5)° in N4MPSDCAA and 82.2?(1)° in N4CPSTMAA. The mol-ecules in N4CPSDCAA are linked into layers parallel to the (001) plane by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2962147 | biostudies-literature

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-(4-Chloro-benzene-sulfonamido)-phenyl-sulfon-yl]acetamide.

Project description:In the title compound, C(14)H(13)ClN(2)O(5)S(2), the dihedral angles between the central benzene ring and the pendant chloro-benzene ring and the N-acetyl group are 82.35?(5) and 79.71?(6)°, respectively, and the overall conformation of the mol-ecule approximates to a U shape. Both the C-S-N-C conformations are gauche, but with opposite senses [torsion angles = -59.29?(15) and 63.68?(16)°]. An intra-molecular C-H?O inter-action generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(20) loops. A second N-H?O hydrogen bond links the dimers into (101) layers.

| S-EPMC3379469 | biostudies-literature

2,2-Dimethyl-N-(2-methyl-phenyl-sulfon-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(11)H(15)NO(3)S, contains two independent mol-ecules in which the amide bonds show a trans conformation. The C-S-N-C torsion angles are -67.4?(2) and 63.8?(2)° in the two independent mol-ecules. In one of the mol-ecules, a methyl group is disordered over two sets of sites with a site-occupation factor of 0.661?(16) for the major occupany component. In the crystal, mol-ecules are packed into chains running along [101] through N-H?O(S) hydrogen bonds.

| S-EPMC3213502 | biostudies-literature

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

Project description:The conformations of the N-H and C=O bonds in the SO(2)-NH-CO-C group of the title compound (N4BPSTMAA), C(11)H(14)BrNO(3)S, are trans to each other, similar to what is observed in N-(4-chloro-phenyl-sulfon-yl)-2,2,2-trimethyl-acet-amide (N4CPSTMAA) and 2,2,2-trimethyl-N-(4-methyl-phenyl--sulfon-yl)acetamide (N4MPSTMAA). The bond para-meters in N4BPSTMAA are similar to those in N4CPSTMAA, N4MPSTMAA, N-aryl-2,2,2-trimethyl-acet-amides and 4-bromo-benzene-sulfonamide. The benzene ring and the SO(2)-NH-CO-C group in N4BPSTMAA form a dihedral angle of 82.8?(1)°, comparable with the values of 82.2?(1)° in N4CPSTMAA and 71.2?(1)° in N4MPSTMAA. N-H?O hydrogen bonds form a centrosymmetric ring characterized by an R(2) (2)(8) motif.

| S-EPMC2962022 | biostudies-literature

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

Project description: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.

| S-EPMC2959785 | biostudies-literature

N-(Phenyl-sulfon-yl)acetamide.

Project description:In the title compound, C(8)H(9)NO(3)S, the N-H bond is in an anti-periplanar conformation with respect to the C=O bond. The crystal packing is stabilized by N-H?O hydrogen bonds, generating C(4) chains propagating in [001].

| S-EPMC2979412 | 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