Browse
Submit Data
Databases
API
Help

Dataset Information

3 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Chloro-N-methyl-N-phenyl-acetamide.

ABSTRACT: In the title compound, C(9)H(10)ClNO, the non-H atoms, excluding the phenyl group, are almost coplanar (r.m.s. deviation of the non-H atoms = 0.1015?Å). The dihedral angle formed between this plane and the benzene ring is 87.07?(5)°. Weak inter-molecular C-H?O inter-actions help to stabilize the packing.

SUBMITTER: Zhi LH

PROVIDER: S-EPMC3050318 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-Chloro-N-methyl-N-phenyl-acetamide.

Zhi Li-Hua LH Wu Wei-Na WN Li Xiao-Xia XX Li Yan-Wei YW Wang Yuan Y

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

In the title compound, C(9)H(10)ClNO, the non-H atoms, excluding the phenyl group, are almost coplanar (r.m.s. deviation of the non-H atoms = 0.1015 Å). The dihedral angle formed between this plane and the benzene ring is 87.07 (5)°. Weak inter-molecular C-H⋯O inter-actions help to stabilize the packing. ...[more]

PMID: 21522779

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

2-Chloro-N-phenyl-acetamide.

Project description:In the title compound, C(8)H(8)ClNO, the conformations of the N-H and C=O bonds are anti to each other, but the C-Cl and C=O bonds in the side chain are syn. The mol-ecules are linked by N-H?O hydrogen bonds into infinite chains running in the [101] direction.

| S-EPMC2961479 | 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

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-[4-Chloro-2-(2-chlorobenzoyl)phenyl]acetamide.

Project description:In the title compound, C(15)H(11)Cl(2)NO(2), the dihedral angle between the two benzene rings is 74.83?(5)°. The N-bound and terminal benzene rings are inclined at dihedral angles of 4.09?(10) and 78.38?(9)°, respectively, to the mean plane through the acetamide group. Intra-molecular C-H?O and N-H?O hydrogen bonds both generate S(6) rings.

| S-EPMC2979381 | biostudies-literature

2-Chloro-N-chloro-methyl-N-(2-ethyl-6-methyl-phen-yl)acetamide.

Project description:The title compound, C(12)H(15)Cl(2)NO, was synthesized as an inter-mediate for the synthesis of the herbicide Acetochlor. The crystal structure exhibits weak inter-molecular C-H?O hydrogen bonds, which link the mol-ecules into zigzag chains along the b axis.

| S-EPMC2961626 | 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-(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

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

Project description:The title compound, C(10)H(13)ClN(2)O, was obtained as a by-product in the reaction of 2-chloro-methyl-1H-benzimidazole, dimethyl sulfate and toluene to synthesise 2-chloro-methyl-1-methyl-benzimidazole. The dihedral angle between the benzene ring and the acetamide group is 89.72 ?(6)° while that between the aromatic ring and the chloracetyl group is 84.40?(4)°. In the crystal, adjacent mol-ecules are linked by pairs of N-H?O hydrogen bonds into inversion dimers.

| S-EPMC3569763 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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