Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Chloro-methyl-sulfinyl-2-nitro-benzene.

ABSTRACT: In the title compound, C(7)H(6)ClNO(3)S, the nitro group forms a dihedral angle of 2.7?(4)° with the benzene ring. The bond-angle sum at the S atom is 303.7°. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming layers lying parallel to (-101).

SUBMITTER: Benmebarek S

PROVIDER: S-EPMC3515295 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Chloro-methyl-sulfinyl-2-nitro-benzene.

Benmebarek Sabrina S Boudraa Mhamed M Bouacida Sofiane S Daran Jean-Claude JC

Acta crystallographica. Section E, Structure reports online 20121027 Pt 11

In the title compound, C(7)H(6)ClNO(3)S, the nitro group forms a dihedral angle of 2.7 (4)° with the benzene ring. The bond-angle sum at the S atom is 303.7°. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming layers lying parallel to (-101). ...[more]

PMID: 23284515

Similar Datasets

1-Chloro-methyl-4-nitro-benzene.

Project description:In the title compound, C(7)H(6)ClNO(2), the nitro group is almost coplanar with the aromatic ring [dihedral angle = 2.9 (2)°], but the Cl atom deviates from the ring plane by 1.129 (1) Å. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions to generate chains.

| S-EPMC3006927 | biostudies-literature

1-Chloro-2-methyl-3-nitro-benzene.

Project description:In the title compound, C(7)H(6)ClNO(2), the chloro, methyl and nitro substituents are situated next to each other in this order on the benzene ring, with the mean plane of the nitro group twisted away from the mean plane of the benzene ring by 38.81 (5)°.

| S-EPMC3051957 | biostudies-literature

1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

Project description:The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.

| S-EPMC2960992 | biostudies-literature

N-(2-Chloro-2-nitro-1-phenyl-prop-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(16)H(17)ClN(2)O(4)S, the dihedral angle between the phenyl and benzene rings is 19.4?(2)°. The crystal packing is stabilized by inter-molecular N-H?O hydrogen bonds, as well as by intra- and inter-molecular C-H?O hydrogen bonds.

| S-EPMC2960443 | biostudies-literature

5-Chloro-2-(4-chloro-phen-yl)-7-methyl-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(16)H(12)Cl(2)O(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-chloro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 15.91?(4)°. In the crystal, mol-ecules are linked into chains along the b axis by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2983503 | biostudies-literature

1-Chloro-meth-yl-3-nitro-benzene.

Project description:In the title mol-ecule, C(7)H(6)ClNO(2), the plane of the nitro group and the direction of the chloro-methyl group are twisted away from the benzene ring, forming dihedral angles of 8.2?(3) and 67.55?(12)°, respectively. In the crystal structure, weak inter-molecular C-H?O inter-actions link the mol-ecules into corrugated sheets parallel to the bc plane.

| S-EPMC2983641 | biostudies-literature

2-Methyl-5-nitro-benzene-sulfonamide.

Project description:In the title compound, C(7)H(8)N(2)O(4)S, the nitro group is twisted by 9.61?(2)° relative to the benzene ring. In the crystal, mol-ecules are linked by N-H?O and N-H?(O,O) hydrogen bonds between the amino and sulfonyl groups, forming layers parallel to (001).

| S-EPMC2980036 | biostudies-literature

2,4-Di-chloro-1-iodo-6-nitro-benzene.

Project description:In the crystal structure of the title compound, C6H2Cl2INO2, there are weak C-H?Cl inter-actions and I?O [3.387?(4)?Å] close contacts. These inter-actions form sheets in the ac plane, with the closest contact between adjacent planes occurring between inversion-related nitro O atoms [3.025?(8)?Å]. The molecule possesses mirror symmetry, with the halogen, N and C atoms all lying in the mirror plane. Hence, the dihedral angle between the benzene ring and the nitro group is 90°.

| S-EPMC4011245 | biostudies-literature

Methyl 2-(5-chloro-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

Project description:The title compound, C(12)H(11)ClO(4)S, was prepared by the oxidation of methyl 2-(5-chloro-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.809?(2)?Å], and by C-H?? inter-actions between a methyl H atom and the furan ring of an adjacent mol-ecule. In addition, the crystal structure exhibits inter-molecular C-H?O hydrogen bonds.

| S-EPMC2959551 | biostudies-literature

Methyl 4-chloro-3-nitro-benzoate.

Project description:In the title compound, C(8)H(6)ClNO(4), the mol-ecules are linked by C-H?O inter-actions to form a chain parallel to the a axis. The chains are further connected by slipped ?-? stacking between symmetry-related benzene rings, with a centroid-to-centroid distance of 3.646?(2)?Å and an inter-planar distance of 3.474?Å, resulting in an offset of 1.106?Å.

| S-EPMC2960159 | 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