Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Chloro-N-(4-fluoro-phen-yl)acetamide.

ABSTRACT: In the title compound, C(8)H(7)ClFNO, an intra-molecular C-H?O hydrogen bond forms a six-membered ring. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming infinite chains along the c axis.

SUBMITTER: Kang SS

PROVIDER: S-EPMC2961718 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N-(3-Chloro-4-fluoro-phen-yl)acetamide.

Project description:In the title compound, C(8)H(7)ClFNO, the dihedral angle between the benzene ring and the acetamide side chain is 5.47 (6)°. An S(6) ring motif is formed via an intra-molecular C-H⋯O hydrogen bond. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains along [001].

| S-EPMC3344482 | biostudies-literature

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

Project description:In the title compound, C14H10ClF2NO, the dihedral angle between the mean planes of the 4-chloro-phenyl and 3,4-di-fluoro-phenyl rings is 65.2 (1)°. These two planes are twisted by 83.5 (5) and 38.9 (9)°, respectively, from that of the acetamide group. In the crystal, N-H⋯O hydrogen bonds form infinite chains along [100]. Weak C-H⋯O and C-H⋯F inter-actions are also observed and stack mol-ecules along the b axis.

| S-EPMC3685127 | 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

N-(3-Chloro-4-fluoro-phen-yl)-2-(naphthalen-1-yl)acetamide.

Project description:In the title compound, C(18)H(13)ClFNO, the dihedral angle between the mean planes of the chloro- and fluoro-substituted benzene ring and the naphthalene ring system is 60.5 (8)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming a zigzag chain along [101].

| S-EPMC3151961 | biostudies-literature

Crystal structure of 2-chloro-N-(3-fluoro-phen-yl)acetamide.

Project description:In the title compound, C8H7ClFNO, the F atom is disordred over the meta positions of the benzene ring in a 0.574?(4):0.426?(4) ratio and the Cl atom is syn to the O atom [O-C-C-Cl = 5.6?(3)°]. A short intra-molecular C-H?O contact occurs. In the crystal, mol-ecules are linked into amide C(4) chains propagating in [101] by N-H?O hydrogen bonds.

| S-EPMC4420121 | biostudies-literature

2-Chloro-N-[2-(2-fluoro-benzo-yl)-4-nitro-phen-yl]-N-methyl-acetamide.

Project description:The title compound, C(16)H(12)ClFN(2)O(4), crystallizes with two mol-ecules in the asymmetric unit in which the dihedral angles between the mean planes of the two benzene rings are 65.1 (7) and 65.6 (6)°. In each mol-ecule, the nitro group displays rotational disorder over two orientations in a 0.503 (11):0.497 (11) ratio and the Cl atom is disordered in a 0.432 (5):0.568 (5) ratio. In one mol-ecule, the F atoms is statistically disordered over two positions. The crystal packing features weak inter-molecular C-H⋯O and C-H⋯Cl inter-actions, which form a layered network.

| S-EPMC3200782 | biostudies-literature

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

Project description:The conformation of the N-H bond in the structure of the title compound (3CPA), C(8)H(8)ClNO, is anti to the meta-chloro substituent, in contrast to the syn conformation observed for the ortho-chloro substituent in N-(2-chloro-phen-yl)acetamide, syn to both the ortho and meta chloro substituents in N-(2,3-dichloro-phen-yl)acetamide, and syn to the ortho chloro substituent in N-(2,4-dichloro-phen-yl)acetamide. There are two mol-ecules, linked by an N-H⋯O hydrogen bond, in the asymmetric unit of 3CPA. The bond parameters in 3CPA are similar to those of other acetanilides and the mol-ecules are packed into chains through inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2960357 | biostudies-literature

2-(4-Chloro-phen-yl)acetamide.

Project description:In the title compound, C(8)H(8)ClNO, the acetamide group is twisted out the benzene plane with a dihedral angle of 83.08 (1)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming layers parallel to the ab plane.

| S-EPMC3238921 | biostudies-literature

2-Chloro-N-(3-chloro-phen-yl)acetamide.

Project description:The N-H bond in the title compound, C(8)H(7)Cl(2)NO, is anti to the meta-chloro substituent in the aromatic ring in both independent mol-ecules comprising the asymmetric unit. The C=O bond is anti to the N-H bond and is also anti to the methyl-ene H atoms. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into supra-molecular chains.

| S-EPMC2977650 | biostudies-literature

N-[(4-Chloro-phen-yl)sulfon-yl]acetamide.

Project description:The asymmetric unit of the title compound, C(8)H(8)ClNO(3)S, consists of two crystallographically independent mol-ecules (A and B). The dihedral angles between the benzene ring and amide C-C(=O)-NH- plane are 87.6 (3) (mol-ecule A) and 86.0 (3)° (mol-ecule B). In the crystal, the independent mol-ecules are alternately linked by N-H⋯O hydrogen bonds into an infinite chain along the b axis. Short inter-molecular Cl⋯Cl contacts [3.2882 (5) and 3.2812 (5) Å] are also observed.

| S-EPMC3435654 | 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