Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zia-Ur-Rehman M

PROVIDER: S-EPMC2977642 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zia-Ur-Rehman Muhammad M Sepehrianazar Amir A Ali Muhammad M Siddiqui Waseeq Ahmad WA Caylak Nagihan N

Acta crystallographica. Section E, Structure reports online 20090402 Pt 5

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. ...[more]

PMID: 21583985

Similar Datasets

N-{[4-(4-Meth-oxy-benzene-sulfonamido)-phen-yl]sulfon-yl}acetamide.

Project description:In the title compound, C(15)H(16)N(2)O(6)S(2), the dihedral angle between the benzene rings is 83.2 (3)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯O inter-action. In the crystal structure, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds and additional stabilization is provided by weak C-H⋯π inter-actions.

| S-EPMC3006991 | 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-[(2-Hydr-oxy-5-methoxy-phen-yl)(3-nitro-phen-yl)meth-yl]acetamide.

Project description:In the title compound, C(16)H(16)N(2)O(5), the meth-oxy group is disordered with site occupancies of 0.20 (3) and 0.80 (3). The dihedral angle between the two aromatic rings is 73.7 (2)°. The crystal structure is characterized by intermolecular N-H⋯O, O-H⋯O, C-H⋯O and C-H⋯π hydrogen bonds.

| S-EPMC2968863 | 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

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

Project description: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.

| S-EPMC3393294 | biostudies-literature

2-(4,5-Di-chloro-2-nitro-phen-yl)-4-meth-oxy-3-methyl-9-phenyl-sulfon-yl-9H-carbazole.

Project description:In the title compound, C26H18Cl2N2O5S, the carbazole ring system is essentially planar with a maximum deviation of 0.0498 (16) Å for the N atom. The carbazole ring system is almost orthogonal to the phenyl-sulfonyl and di-chloro-substituted nitro-phenyl rings, making dihedral angles of 84.23 (7) and 85.46 (12)°, respectively. The mol-ecular structure features intra-molecular C-H⋯O inter-actions, which generate two S(6) ring motifs. In the crystal, mol-ecules are linked by C-Cl⋯O halogen bonds [3.016 (3) Å, 166.63 (5)°], which generate infinite C(8) chains running parallel to [010].

| S-EPMC3998356 | biostudies-literature

N-[4-(4-Nitro-phen-oxy)phen-yl]acetamide.

Project description:The asymmetric unit of the title compound, C(14)H(12)N(2)O(4), contains two mol-ecules that differ principally in the orientation of the acetamide substituent to the adjacent benzene ring with dihedral angles of 44.77 (7) and 19.06 (7)°. The dihedral angles between the benzene rings are 64.46 (4) and 80.84 (4)°. In the crystal, classical N-H⋯O hydrogen bonds form C(4) chains along [100]. These chains are inter-linked by C-H⋯O contacts forming R(2) (2)(10) rings. In the crystal, π-π inter-actions are observed with a distance of 3.5976 (18) Å between the centroids of the nitro-substituted benzene rings of one type of mol-ecule.

| S-EPMC3414940 | biostudies-literature

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

Project description:In the title compound, C(9)H(12)N(2)O(7)S(2), the nitro substituent is slightly twisted from the benzene ring [dihedral angle = 14.69?(10)°]. The mol-ecular geometry is stabilized by intra-molecular C-H?O hydrogen bonds, forming S(6) ring motifs. In the crystal, molecules are linked by C-H?O hydrogen bonds into layers parallel to (10-2).

| S-EPMC3393905 | biostudies-other

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

Methyl 2-meth-oxy-4-{[2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzoate.

Project description:The mol-ecule of the title Schiff base compound, C(16)H(15)N(3)O(5), obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 4-nitro-phenyl-hydrazine, adopts an E geometry with respect to the C=N double bond. The mol-ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90?(9)°. In the crystal, inter-molecular N-H?O hydrogen bonds link centrosymmetrically related pairs of mol-ecules, forming dimers of R(2) (2)(22) graph-set motif. The dimers are further connected through slipped ?-? inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646?(1)?Å, offset angle of 15.4°].

| S-EPMC2983317 | 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