Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2962045 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Gowda B Thimme BT Foro Sabine S Sowmya B P BP Nirmala P G PG Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20080705 Pt 8

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. ...[more]

PMID: 21203130

Similar Datasets

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

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

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-(2,3-Dimethyl-phen-yl)-2,2,2-trimethyl-acetamide.

Project description:The N-H bond in the title compound, C(13)H(19)NO, is anti to the C=O bond and is also anti to both the 2- and 3-methyl substituents in the aromatic ring. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains propagating along the c axis.

| S-EPMC2969287 | biostudies-literature

N-(Phenyl-sulfon-yl)acetamide.

Project description:In the title compound, C(8)H(9)NO(3)S, the N-H bond is in an anti-periplanar conformation with respect to the C=O bond. The crystal packing is stabilized by N-H?O hydrogen bonds, generating C(4) chains propagating in [001].

| S-EPMC2979412 | biostudies-literature

N-(2-Chloro-phenyl-sulfon-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(8)H(8)ClNO(3)S, contains two independent mol-ecules in which the C-S-N-C torsion angles are -71.7?(3) and 61.2?(3)°. The benzene rings and the SO(2)-NH-CO-C segments form dihedral angles of 80.2?(1) and 88.1?(2)° in the two independent mol-ecules. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains in the b-axis direction.

| S-EPMC3089153 | biostudies-literature

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

Project description:The conformation of the N-H and C=O bonds in the title compound, C(8)H(7)Cl(2)NO(3)S, is trans. The benzene ring and the SO(2)-NH-CO-C group form a dihedral angle of 79.75?(8)°. Mol-ecules are connected via N-H?O hydrogen bonds to form linear supra-molecular chains.

| S-EPMC2962148 | biostudies-literature

N-(2-Methyl-phenyl-sulfon-yl)acetamide.

Project description:In the mol-ecular structure of the title compound, C(9)H(11)NO(3)S, the N-H and C=O bonds are anti to each other, while the amide H atom is syn with respect to the ortho-methyl group in the benzene ring. The C-S-N-C torsion angle is -58.2?(2)°, indicating a twist in the mol-ecule. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3089077 | biostudies-literature

2,2-Dichloro-N-(4-chloro-phenyl-sulfon-yl)-acetamide.

Project description:In the crystal structure of the title compound (N4CPSDCAA), C(8)H(6)Cl(3)NO(3)S, the conformations of the N-H and C=O bonds in the SO(2)-NH-CO-C group are trans to each other, similar to those observed in 2,2-dichloro-N-(phenyl-sulfon-yl)-acetamide (NPSDCAA), 2,2-dichloro-N-(4-methyl-phenyl-sulfon-yl)acetamide (N4MPSDCAA) and N-(4-chloro-phenyl-sulfon-yl)-2,2,2-trimethyl-acetamide (N4CPSTMAA), with similar bond parameters. The -SNHCOC- unit in N4CPSDCAA is essentially planar and makes a dihedral angle of 79.67?(5)° with the benzene ring, comparable to 79.75?(8)° in NPSDCAA, 81.02?(5)° in N4MPSDCAA and 82.2?(1)° in N4CPSTMAA. The mol-ecules in N4CPSDCAA are linked into layers parallel to the (001) plane by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2962147 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(11)H(15)NO(3)S, contains two independent mol-ecules in which the amide bonds show a trans conformation. The C-S-N-C torsion angles are -67.4?(2) and 63.8?(2)° in the two independent mol-ecules. In one of the mol-ecules, a methyl group is disordered over two sets of sites with a site-occupation factor of 0.661?(16) for the major occupany component. In the crystal, mol-ecules are packed into chains running along [101] through N-H?O(S) hydrogen bonds.

| S-EPMC3213502 | 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