Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC3588444 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Jasinski Jerry P JP Guild Curtis J CJ Yathirajan H S HS Narayana B B Samshuddin S S

Acta crystallographica. Section E, Structure reports online 20130228 Pt 3

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⋯π inter-actions are also present. ...[more]

PMID: 23476627

Similar Datasets

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-(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

2-(4-Bromo-phen-yl)-N-(3,4-di-fluoro-phen-yl)acetamide.

Project description:In the title compound, C14H10BrF2NO, the dihedral angle between the mean planes of the 4-bromo-phenyl and 3,4-di-fluoro-phenyl rings is 66.4 (1)°. These two planes are twisted by 40.0 (5) and 86.3 (2)°, respectively, from that of the acetamide group. In the crystal, N-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯F inter-actions form infinite chains along [100].

| S-EPMC3685057 | 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-(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

N-(4-Bromo-phen-yl)-2-(naphthalen-1-yl)acetamide.

Project description:In the title compound, C(18)H(14)BrNO, the naphthalene ring system and the benzene ring form dihedral angles of 78.8 (2) and 19.7 (2)°, respectively, with the acetamide C-C(=O)-N plane. The naphthalene ring system forms a dihedral angle of 64.88 (19)° with the benzene ring. In the crystal, mol-ecules are linked via inter-molecular bifurcated (N,C)-H⋯O hydrogen bonds, generating an R(2) (1)(6) ring motif, forming chains along the b axis.

| S-EPMC3247340 | biostudies-literature

2-(4-Bromo-phen-yl)-N-(3-chloro-4-fluoro-phen-yl)acetamide.

Project description:In the title compound, C(14)H(10)BrClFNO, the benzene rings form a dihedral angle of 64.0?(2)°. In the crystal, mol-ecules are linked via inter-molecular N-H?O, C-H?O, C-H?Cl and C-H?F hydrogen bonds into layers parallel to (001). The crystal was refined as a merohedral twin with a 0.935?(114):0.065?(14) domain ratio.

| S-EPMC3415000 | 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