Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Nitro-phenyl naphthalene-1-sulfonate.

ABSTRACT: In the crystal structure of the title compound, C(16)H(11)NO(5)S, the plane of the naphthalene ring system forms a dihedral angle of 63.39?(8)° with the benzene ring. The nitro group makes a dihedral angle of 10.73?(16)° with the benzene ring. Weak intra- and inter-molecular C-H?O inter-actions are observed.

SUBMITTER: Vennila JP

PROVIDER: S-EPMC2960515 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Nitro-phenyl naphthalene-1-sulfonate.

Vennila Jasmine P JP Kavitha Helen P HP Thiruvadigal D John DJ Venkatraman B R BR Manivannan V V

Acta crystallographica. Section E, Structure reports online 20080830 Pt 9

In the crystal structure of the title compound, C(16)H(11)NO(5)S, the plane of the naphthalene ring system forms a dihedral angle of 63.39 (8)° with the benzene ring. The nitro group makes a dihedral angle of 10.73 (16)° with the benzene ring. Weak intra- and inter-molecular C-H⋯O inter-actions are observed. ...[more]

PMID: 21201819

Similar Datasets

4-Amino-phenyl naphthalene-1-sulfonate.

Project description:In the title compound, C(16)H(13)NO(3)S, the plane of the amino-benzene ring makes a dihedral angle of 61.04?(6)° with the naphthalene ring system. Both ring systems form weak intra-molecular C-H?O hydrogen bonds with the sulfonate group. In the crystal structure, weak inter-molecular N-H?O hydrogen bonds and a C-H?? inter-action are observed.

| S-EPMC2961631 | biostudies-literature

3-Amino-phenyl naphthalene-1-sulfonate.

Project description:In the title compound, C(16)H(13)NO(3)S, the plane of the naphthalene ring system forms a dihedral angle of 64.66 (10)° with the benzene ring. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions and the crystal packing is stabilized by weak inter-molecular N-H⋯O and C-H⋯O inter-actions and by π-π stacking inter-actions of the inversion-related naphthalene units [centroid-centroid distance of 3.7373 (14) Å].

| S-EPMC2967982 | biostudies-literature

Phenyl naphthalene-2-sulfonate.

Project description:In the crystal structure of the title compound, C(16)H(12)O(3)S, the dihedral angle between the naphthalene ring system and the phenyl ring is 65.21?(3)°. The mol-ecules are linked by inter-molecular C-H?O hydrogen bonds, forming a chain along the a axis. The chains are connected through weak C-H?? inter-actions.

| S-EPMC2959821 | biostudies-other

2-Nitro-p-phenyl-ene dibenzene-sulfonate.

Project description:In the title compound, C(18)H(13)NO(8)S(2), the nitro-phenyl ring forms dihedral angles of 46.67 (7) and 75.40 (6)° with the phenyl rings. The nitro group makes a dihedral angle of 26.13 (8)° with the attached ring. The crystal packing is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2979987 | biostudies-literature

2-Nitro-p-phenyl-ene bis-(toluene-sulfonate).

Project description:In the mol-ecule of the title compound, C(20)H(17)NO(8)S(2), the two toluene rings are oriented at a dihedral angle of 3.65?(4)°, while the nitrophenyl ring is oriented at dihedral angles of 44.39?(3) and 47.44?(3)° with respect to the toluene rings. An intra-molecular C-H?O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules. There is a ?-? contact between the toluene rings [centroid-centroid distance = 4.035?(1)?Å].

| S-EPMC2960664 | biostudies-literature

3-Fluoro-4-nitro-phenyl 4-methyl-benzene-sulfonate.

Project description:In the title compound, C(13)H(10)FNO(5)S, the dihedral angle between the benzene rings is 47.63 (14)°. In the crystal, π-π stacking occurs between nearly parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7806 (16) Å. Weak inter-molecular C-H⋯O hydrogen bonding is also present in the crystal structure.

| S-EPMC3099963 | biostudies-literature

4-Nitro-phenyl 4-bromo-benzene-sulfonate.

Project description:In the title mol-ecule, C(12)H(8)BrNO(5)S, the dihedral angle between the two benzene rings is 30.02?(7)°. The crystal structure is stabilized by weak C-H?O inter-actions.

| S-EPMC2971087 | biostudies-other

Crystal structure of 3,5-di-methyl-phenyl 2-nitro-benzene-sulfonate.

Project description:The title compound, C14H13NO5S, was synthesized via a nucleophilic substitution reaction between 3,5-di-methyl-phenol and 2-nitro-benzene-sulfonyl chloride. The aromatic rings attached to the SO3 group are oriented in a gauche fashion around the ester S-O bond, with a C-S-O-C torsion angle of 84.68?(11)°. The mol-ecules form centrosymmetric dimers via ?-? stacking inter-actions between 3,5-di-methyl-phenyl groups (centroid-centroid distance = 3.709?Å). An inter-molecular S=O?N inter-action between the sulfonyl and nitro groups, with an O?N distance of 2.9840?(18)?Å, organizes the dimers into columns extending along [011]. These columns are further assembled into (111) layers through C-H?O inter-actions.

| S-EPMC4555383 | biostudies-literature

6-Formyl-2-meth-oxy-3-nitro-phenyl 4-toluene-sulfonate.

Project description:In the title compound, C(15)H(13)NO(7)S, the inter-planar angle between the two aromatic rings is 26.04?(3)°. The crystal structure is stabilized by C-H?O interactions.

| S-EPMC2959389 | biostudies-literature

The crystal structure of 2-[5-(di-methyl-amino)-naphthalene-1-sulfonamido]-phenyl 5-(di-methyl-amino)-naphthalene-1-sulfonate.

Project description:The complete mol-ecule of the title compound, C30H29N3O5S2, is generated by a crystallographic twofold axis: the O atom and NH group attached to the central benzene ring are statistically disordered. The dihedral angle between the naphthalene ring system and the central benzene ring is 52.99 (6)°, while the pendant naphthalene ring systems subtend a dihedral angle of 68.17 (4)°. An intra-molecular C-H⋯O hydrogen bond closes an S(6) ring. In the crystal, the mol-ecules are linked by weak C-H⋯O hydrogen bonds.

| S-EPMC4647440 | 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