Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(3-Chloro-phen-yl)-N'-(3-methyl-phen-yl)succinamide.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(17)ClN(2)O(2), contains one half-mol-ecule with a center of inversion at the mid-point of the central C-C bond. The amide N-H group is anti to the meta-chloro/methyl groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) segment is 43.5?(1)°. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along the a axis. The methyl group and the Cl atom occupy the same position and were treated in a disorder model with site-occupation factors of 0.5 each.

SUBMITTER: Saraswathi BS

PROVIDER: S-EPMC3213520 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(3-Chloro-phen-yl)-N'-(3-methyl-phen-yl)succinamide.

Saraswathi B S BS Foro Sabine S Gowda B Thimme BT

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

The asymmetric unit of the title compound, C(17)H(17)ClN(2)O(2), contains one half-mol-ecule with a center of inversion at the mid-point of the central C-C bond. The amide N-H group is anti to the meta-chloro/methyl groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) segment is 43.5 (1)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains along the a axis. The methyl group and the Cl atom occupy the same positi ...[more]

PMID: 22091099

Similar Datasets

N-(2-Chloro-phen-yl)-N'-(2-methyl-phen-yl)succinamide.

Project description:In the title compound, C(17)H(17)ClN(2)O(2), the asymmetric unit contains half a mol-ecule with a centre of symmetry at the mid-point of the central C-C bond. The conformations of the amide O atoms are anti to the methyl-ene atoms. Further, the N-H bonds in the amide fragments are anti to the ortho-chloro/methyl groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) segment in the two halves of the mol-ecule is 62.0?(2)°. In the crystal, a series of N-H?O inter-molecular hydrogen bonds link the mol-ecules into column-like infinite chains along the a axis. The methyl and Cl groups are disordered with respect to the ortho positions of the benzene ring, with site-occupation factors of 0.5 each.

| S-EPMC3201445 | biostudies-literature

N-(4-Chloro-phen-yl)-N'-(3-methyl-phen-yl)succinamide monohydrate.

Project description:In the title hydrate, C(17)H(17)ClN(2)O(2)·H(2)O, the dihedral angles formed by the aromatic rings of the chloro-benzene and methyl-benzene groups with the mean planes of their attached NH-C(O)-CH(2) fragments are 16.6 (2) and 22.8 (2)°, respectively. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the components into a two-dimensional network parallel to the ab plane.

| S-EPMC3200603 | biostudies-literature

N-(3-Chloro-phen-yl)-N'-(2-methyl-phenyl)succinamide monohydrate.

Project description:In the title compound, C(17)H(17)ClN(2)O(2)·H(2)O, the dihedral angles formed by the aromatic rings of the chloro-benzene and methyl-benzene groups with the mean planes of the attached NH-C(O)-CH(2) fragments are 9.4?(4) and 62.9?(2)°, respectively. In the crystal, mol-ecules are packed into layers parallel to the bc plane by O-H?O and N-H?O hydrogen-bond inter-actions.

| S-EPMC3089173 | biostudies-literature

N,N'-Bis(2-chloro-phen-yl)succinamide.

Project description:There is one half-mol-ecule in the asymmetric unit of the title compound, C(16)H(14)Cl(2)N(2)O(2), with a center of symmetry at the mid-point of the central C-C bond. The N-H and C=O bonds in the C-NH-C(O)-C fragment are anti to each other and the amide O atom is anti to the H atoms attached to the adjacent C atoms. However, the conformation of the N-H bond in the amide fragments is syn to the ortho-chloro groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) fragment is 47.0?(2)°. In the crystal, a series of N-H?O inter-molecular hydrogen bonds link the mol-ecules into chains along the b axis.

| S-EPMC3089196 | biostudies-literature

N,N'-Bis(2-methyl-phen-yl)succinamide.

Project description:In the title compound, C(18)H(20)N(2)O(2), the conformations of the N-H and C=O bonds in the C-NH-C(O)-C segments are anti to each other and the amide O atom is anti to the H atoms attached to the adjacent C atoms. Further, the conformations of the N-H bonds in the amide fragments are anti to the ortho-methyl groups in the adjacent benzene rings. The complete molecule is generated by inversion symmetry. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) segment in the two halves of the mol-ecule is 62.1 (2)°. In the crystal, N-H⋯O inter-molecular hydrogen bonds link the mol-ecules into sheet-like infinite chains along the a axis.

| S-EPMC3052079 | biostudies-literature

N-(4-Chloro-phenyl)-N'-(4-methyl-phen-yl)succinamide.

Project description:The asymmetric unit of the title compound, C(17)H(17)ClN(2)O(2), contains one half-mol-ecule with a center of symmetry at the mid-point of the central C-C bond. The dihedral angle between the benzene ring and the adjacent NH-C(O)-CH(2) group is 39.9?(1)°. The methyl and Cl groups are disordered with respect to the para-positions of the benzene ring, with site-occupation factors of 0.5 each. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains parallel to the baxis.

| S-EPMC3200890 | biostudies-other

N,N'-Bis(3-methyl-phen-yl)succinamide dihydrate.

Project description:The asymmetric unit of the title compound, C(18)H(20)N(2)O(2)·2H(2)O, contains half a mol-ecule with a center of symmetry at the mid-point of the central C-C bond. The N-H bonds in the amide fragments are anti to the meta-methyl groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) segment in the two halves of the mol-ecule is 5.6?(4)°. In the crystal, the packing of mol-ecules through O-H?O and N-H?O hydrogen-bonding inter-actions leads to the formation of layers parallel to the bc plane. The methyl group is disordered with respect to the 3- and 5-positions of the benzene ring, with site-occupation factors of 0.910?(8) and 0.090?(8).

| S-EPMC3152126 | biostudies-literature

2-(4-Chloro-phen-yl)-6-methyl-4-(3-methyl-phen-yl)quinoline.

Project description:In the title compound, C(23)H(18)ClN, the dihedral angles between the quinoline unit and the chloro-benzene and methyl-benzene rings are 2.57?(9) and 56.06?(9)°, respectively. The crystal structure is stabilized by ?-? inter-actions [minimum ring centroid separation = 3.733?(2)?Å].

| S-EPMC3515327 | biostudies-literature

N,N'-Bis(3-chloro-phen-yl)succinamide.

Project description:The complete molecule of the title compound, C(16)H(14)Cl(2)N(2)O(2), is generated by crystallographic inversion symmetry. The dihedral angle between the benzene ring and the NH-C(O)-C fragment is 32.8?(1)°. In the crystal, the molecules are linked by N-H?O hydrogen bonds into [100] chains.

| S-EPMC3099800 | biostudies-other

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

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