Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(9)H(11)NO(3)S, the dihedral angle between the benzene ring and the amide group is 76.7?(3)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds into inversion dimers with R(2) (2)(8) ring motifs. The dimers are further connected by N-H?O and C-H?O hydrogen bonds into an infinite tape running parallel to the b-axis direction.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3393294 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Fun Hoong-Kun HK Chia Tze Shyang TS Hegde Poornima P Jyothi K K D'Souza Pramila Rita PR

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the title compound, C(9)H(11)NO(3)S, the dihedral angle between the benzene ring and the amide group is 76.7 (3)°. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds into inversion dimers with R(2) (2)(8) ring motifs. The dimers are further connected by N-H⋯O and C-H⋯O hydrogen bonds into an infinite tape running parallel to the b-axis direction. ...[more]

PMID: 22807851

Similar Datasets

2-Chloro-N-[(2-methyl-phen-yl)sulfon-yl]acetamide.

Project description:In the title compound, C(9)H(10)ClNO(3)S, the amide H atom is syn with respect to the ortho-methyl group in the benzene ring and the C-S-N-C torsion angle is -66.9 (2)°. An intra-molecular N-H⋯Cl hydrogen bond occurs. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC3051983 | biostudies-literature

N-(4-Chloro-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

Project description:The title compound, C(9)H(9)ClN(2)O(5)S, is of inter-est as a precursor to biologically active substituted quinolines and related compounds. The structure displays inter-molecular C-H?O inter-actions. Each mol-ecule is linked to two adjacent neighbours via weak centrosymmetric dimer-forming inter-actions, forming chains in the [101] direction.

| S-EPMC2959785 | biostudies-literature

N-(4-Meth-oxy-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

Project description:In the title compound, C(10)H(12)N(2)O(6)S, the nitro group is twisted slightly out of the plane of the aromatic ring, forming a dihedral angle of 20.79?(1)°. In the crystal, the mol-ecules arrange themselves as a chain along the a axis through inter-molecular C-H?O inter-actions.

| S-EPMC2977642 | 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

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

N-(2-Formyl-phen-yl)-4-methyl-N-[(4-methyl-phen-yl)sulfon-yl]benzene-sulfon-amide.

Project description:In the title compound, C21H19NO5S2, the dihedral angles between the formyl-phenyl ring and the two methyl-phenyl rings are 29.3?(3) and 28.9?(3)°, respectively; the dihedral angle between the methyl-phenyl rings is 48.4?(2)°. The C-N-S-C torsion angles are -74.1?(2) and -105.4?(2)°. In the crystal, molecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC4051026 | biostudies-literature

2-Methyl-3-[(4-methyl-phen-yl)sulfon-yl-oxy]-2-{[(4-methyl-phen-yl)sulfon-yloxy]meth-yl}propyl 4-methyl-benzene-sulfonate.

Project description:The title mol-ecule, C(26)H(30)O(9)S(3), adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32?(10)°] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position mid-way and face-on to these rings [dihedral angles = 82.28?(10) and 78.81?(7)°]. The crystal packing is dominated by C-H?O contacts and ?-? inter-actions [ring centroid distance = 3.6902?(12)?Å].

| S-EPMC3152050 | 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

N-{4-[(4-Methyl-phen-yl)sulfamo-yl]phen-yl}acetamide.

Project description:The title mol-ecule, C(15)H(16)N(2)O(3)S, has a twisted U-shaped conformation. The twist occurs in the central C-S(=O)(2)N(H)-C unit with the C-S-N-C torsion angle being -58.38?(14)°. The benzene rings lie to the same side of the mol-ecule and form a dihedral angle of 67.03?(10)°. The crystal packing features N-H?O hydrogen bonding, which leads to supra-molecular chains with a tubular topology along the b axis. Intra-molecular C-H?O inter-actions are also observed.

| S-EPMC3007302 | biostudies-literature

Methyl 4-{[(4-methyl-phen-yl)sulfon-yl]amino}-benzoate.

Project description:In the mol-ecule of the title compound, C(15)H(15)NO(4)S, the dihedral angle between the two rings is 88.05?(7)°. The methyl ester group is nearly coplanar with the adjacent ring [dihedral angle = 2.81?(10)°], whereas it is oriented at 86.90?(9)° with respect to the plane of the ring attached to the -SO(2)- group. Weak intra-molecular C-H?O hydrogen bonding completes S(5) and S(6) ring motifs. The mol-ecules form one-dimensional polymeric C(8) chains along the [010] direction due to N-H?O hydrogen bonding and these chains are linked by C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3295455 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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