Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2,2-Tribromo-N-phenyl-acetamide.

ABSTRACT: In the title compound, C(8)H(6)Br(3)NO, the N-H bond is anti to the carbonyl bond in the side chain. The N-H hydrogen atom is involved in a two-centered bond as it shows simultaneous N-H⋯Br intra- and N-H⋯O inter-molecular inter-actions in the structure. In the crystal, mol-ecules are packed into column-like chains along the b axis through the N-H⋯O hydrogen bonds.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2969975 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2,2,2-Tribromo-N-(2-methyl-phen-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(9)H(8)Br(3)NO, contains two independent mol-ecules. Intra-molecular N-H?Br hydrogen bonds are present in both mol-ecules. In the crystal, mol-ecules are packed into columnar chains by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2984052 | biostudies-literature

2,2,2-Tribromo-N-(4-methyl-phen-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(9)H(8)Br(3)NO, contains two independent mol-ecules which differ in the orientation of the tribromo group. A weak intra-molecular N-H⋯Br hydrogen bond is observed in each mol-ecule. In the crystal, the independent mol-ecules are linked into chains along the b axis by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2983910 | biostudies-literature

2,2,2-Tribromo-N-(3-methyl-phen-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(9)H(8)Br(3)NO, contains two independent mol-ecules. The conformation of the N-H bond is anti to the 3-methyl substituent in the benzene ring in each mol-ecule. The structure shows both intra-molecular N-H⋯Br and inter-molecular N-H⋯O hydrogen bonding, the latter leading to the formation of helical supra-molecular chains along the b axis.

| S-EPMC2971947 | biostudies-literature

2,2,2-Tribromo-N-(4-chloro-phen-yl)acetamide.

Project description:The crystal structure of the title compound, C(8)H(5)Br(3)ClNO, shows both intra-molecular N-H⋯Br and inter-molecular N-H⋯O hydrogen bonding. In the crystal, the mol-ecules are packed into column-like chains in the c-axis direction via the N-H⋯O hydrogen bonds.

| S-EPMC2969889 | biostudies-literature

2,2,2-Tribromo-N-(2-chloro-phen-yl)acetamide.

Project description:In the title compound, C(8)H(5)Br(3)ClNO, the conformation of the N-H bond is syn to the 2-chloro substituent in the benzene ring. There are no classical inter-molecular hydrogen bonds, but intra-molecular N-H?Br and N-H?Cl contacts occur.

| S-EPMC2979848 | biostudies-other

2,2,2-Tribromo-N-(3-chloro-phen-yl)acetamide.

Project description:In the title compound, C(8)H(5)Br(3)ClNO, the conformation of the N-H bond is anti to the 3-chloro substituent in the benzene ring. An intra-molecular N-H?Br hydrogen bond occurs. In the crystal, mol-ecules are packed into infinite chains in the a-axis direction by N-H?O hydrogen bonds.

| S-EPMC2979090 | biostudies-other

2,2,2-Trimethyl-N-(phenyl-sulfon-yl)-acetamide.

Project description:The N-H and C=O bonds of the SO(2)-NH-CO group in the title compound, C(11)H(15)NO(3)S, are anti to each other. The asymmetric unit contains two independent mol-ecules. The benzene rings form dihedral angles of 83.19 (8) and 76.01 (10)° with the mean planes of the C(2)NOS fragments. The mol-ecules are linked into chains parallel to the b axis by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2962045 | biostudies-literature

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

N-(4-Bromo-phenyl-sulfon-yl)-2,2,2-tri-methyl-acetamide.

Project description:The conformations of the N-H and C=O bonds in the SO(2)-NH-CO-C group of the title compound (N4BPSTMAA), C(11)H(14)BrNO(3)S, are trans to each other, similar to what is observed in N-(4-chloro-phenyl-sulfon-yl)-2,2,2-trimethyl-acet-amide (N4CPSTMAA) and 2,2,2-trimethyl-N-(4-methyl-phenyl--sulfon-yl)acetamide (N4MPSTMAA). The bond para-meters in N4BPSTMAA are similar to those in N4CPSTMAA, N4MPSTMAA, N-aryl-2,2,2-trimethyl-acet-amides and 4-bromo-benzene-sulfonamide. The benzene ring and the SO(2)-NH-CO-C group in N4BPSTMAA form a dihedral angle of 82.8 (1)°, comparable with the values of 82.2 (1)° in N4CPSTMAA and 71.2 (1)° in N4MPSTMAA. N-H⋯O hydrogen bonds form a centrosymmetric ring characterized by an R(2) (2)(8) motif.

| S-EPMC2962022 | biostudies-literature

2,2,2-Trimethyl-N-(4-methyl-phenyl-sulfon-yl)acetamide.

Project description:The bond parameters and conformations of the N-H and C=O bonds of the SO(2)-NH-CO-C group in the title compound, C(12)H(17)NO(3)S, anti to each other, are similar to what has been observed in related structures. The benzene ring and the SO(2)-NH-CO-C group make a dihedral angle of 71.2?(1)°. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2961849 | biostudies-other

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