Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(5-Bromo-pyridin-2-yl)acetamide.

ABSTRACT: The asymmetric unit of the title compound, C(7)H(7)BrN(2)O, contains two mol-ecules, in one of which the methyl H atoms are disorderd over two orientations in a 0.57?(3):0.43?(3) ratio. The dihedral angles between the pyridine rings and the acetamide groups are 7.27?(11) and 8.46?(11)°. In the crystal, mol-ecules are linked by N-H?O and C-H?O hydrogen bonds generating bifurcated R(2) (1)(5) ring motifs, which in turn lead to [110] chains.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3213491 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(5-Bromo-pyridin-2-yl)acetamide.

Fun Hoong-Kun HK Shahani Tara T Kumar Rajesha R Isloor Arun M AM Shivananda Kammasandra N KN

Acta crystallographica. Section E, Structure reports online 20110716 Pt 8

The asymmetric unit of the title compound, C(7)H(7)BrN(2)O, contains two mol-ecules, in one of which the methyl H atoms are disorderd over two orientations in a 0.57 (3):0.43 (3) ratio. The dihedral angles between the pyridine rings and the acetamide groups are 7.27 (11) and 8.46 (11)°. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds generating bifurcated R(2) (1)(5) ring motifs, which in turn lead to [110] chains. ...[more]

PMID: 22091070

Similar Datasets

2-(4-Bromo-phen-yl)-N-(5-methyl-pyridin-2-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(14)H(13)BrN(2)O, consists of two mol-ecules; the dihedral angles between the pyridine and benzene rings are 87.99 (9) and 84.28 (9)°. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring in each mol-ecule. In the crystal, mol-ecules are linked via N-H⋯N and C-H⋯O hydrogen bonds into a three-dimensional network. The crystal structure also features weak π-π stacking inter-actrions between the benzene rings [centroid-to-centroid distance = 3.6829 (12) Å].

| S-EPMC3414974 | biostudies-literature

N-(3-Bromo-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the structure of the title compound, C(8)H(8)BrNO, is anti to the C=O bond and to the meta-bromo substituent of the aromatic ring in both independent mol-ecules comprising the asymmetric unit. Mol-ecules are linked through N-H⋯O hydrogen bonding into supra-molecular chains with a twisted topology.

| S-EPMC2977722 | biostudies-literature

N-(6-Bromo-meth-yl-2-pyrid-yl)acetamide.

Project description:The title acetamide compound, C(8)H(9)BrN(2)O, crystallizes with three crystallographically independent mol-ecules (A, B and C) in the asymmetric unit. In mol-ecule A, the mean plane through the acetamide unit is inclined at a dihedral angle of 4.40 (11)° with respect to the pyridine ring [10.31 (12) and 2.27 (11)°, respectively, for mol-ecules B and C]. In the crystal structure, mol-ecules are inter-connected into sheets parallel to the ac plane by N-H⋯O, C-H⋯Br, C-H⋯O and C-H⋯N hydrogen bonds. The structure is further stabilized by weak inter-molecular C-H⋯π inter-actions.

| S-EPMC2983235 | biostudies-literature

N-(4-Bromo-phen-yl)-2-(2-thien-yl)acetamide.

Project description:The thienyl ring in the title compound, C(12)H(10)BrNOS, is disordered over two diagonally opposite positions, the major component having a site-occupancy factor of 0.660?(5). The mol-ecule is twisted as evidenced by the dihedral angles of 70.0?(4) and 70.5?(6)° formed between the benzene ring and the two orientations of the disordered thio-phene ring. Linear supra-molecular chains along the a axis are found in the crystal structure through the agency of N-H?O hydrogen bonding.

| S-EPMC2980192 | biostudies-literature

N-(2-Bromo-phen-yl)-2-(naphthalen-1-yl)acetamide.

Project description:In the title compound, C(18)H(14)BrNO, the naphthalene ring system [maximum deviation = 0.015 (3) Å] forms a dihedral angle of 67.70 (10)° with the benzene ring. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into C(4) chains propagating in [100]. A C-H⋯O inter-action reinforces the chain connectivity, generating an R(2) (1)(6) loop.

| S-EPMC3435683 | biostudies-literature

2-(4-Bromo-phen-yl)-N-(pyrazin-2-yl)acetamide.

Project description:In the title compound, C12H10BrN3O, the dihedral angle between the mean planes of the 4-bromo-phenyl and pyrazin-2-yl rings is 54.6 (3)°. An intra-molecular C-H⋯O hydrogen bond generates an S(6) graph-set motif. In the crystal, weak N-H⋯N hydrogen bonds link the mol-ecules into chains along [100]. The chains are linked via C-H⋯N and C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to the ab plane.

| S-EPMC3685048 | biostudies-literature

2-Bromo-N-(2-chloro-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the structure of the title compound, C(8)H(7)BrClNO, is syn to the 2-chloro substituent in the aniline ring and anti to both the C=O and C-Br bonds in the side chain, similar to that observed in 2-chloro-N-(2-chloro-phen-yl)acetamide. In the crystal, mol-ecules are linked into chains along the a axis by N-H?O hydrogen bonds. These chains are in turn linked into pairs, in the form of columns, through much weaker C-H?Cl and Br?Br [4.3027?(3)?Å] inter-actions.

| S-EPMC2977351 | biostudies-literature

N-(4-Bromo-phen-yl)-2-(4-chloro-phen-yl)acetamide.

Project description:The title compound, C(14)H(11)BrClNO, consists of chloro-benzene and bromo-benzene units which are linked at either end of the N-methyl-propionamide group. The chloro-benzene unit [maximum deviation = 0.005?(4)?Å] makes a dihedral angle of 68.21?(19)° with the bromo-benzene unit [maximum deviation = 0.012?(3)?Å]. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains along [010].

| S-EPMC3275261 | biostudies-literature

2-(4-Bromo-phen-yl)-N-(2,6-dimethyl-phen-yl)acetamide.

Project description:In the title compound, C(16)H(16)BrNO, the dihedral angle between the benzene rings is 69.8 (2)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains propagating in [100]. Adjacent mol-ecules in the chains are also linked by C-H⋯O inter-actions which, along with the N-H⋯O hydrogen bonds, generate R(2) (1)(6) loops.

| S-EPMC3435700 | biostudies-literature

N-(4-Bromo-phen-yl)acetamide: a new polymorph.

Project description:A new polymorph of the title compound, C8H8BrNO, has been determined at 173?K in the space group P21/c. The previous room-temperature structure was reported to crystallize in the ortho-rhom-bic space group Pna21 [Andreetti et al. (1968 ?). Acta Cryst. B24, 1195-1198]. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds forming chains along [010]. Weak C-H?? inter-actions are also present.

| S-EPMC3588444 | 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