Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Ramachandran G

PROVIDER: S-EPMC2959389 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Ramachandran G G Suresh R R Sreedevi S S Kanakam Charles C CC Ramkumar V V

Acta crystallographica. Section E, Structure reports online 20080930 Pt 10

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. ...[more]

PMID: 21201238

Similar Datasets

2-Meth-oxy-4-methyl-phenyl 4-toluene-sulfonate.

Project description:In the title mol-ecule, C(15)H(16)O(4)S, the inter-planar angle between the two aromatic rings is 45.07?(7)°. The crystal packing is stabilized by weak inter-molecular C-H?O inter-actions.

| S-EPMC2960684 | 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

2-Formyl-6-meth-oxy-phenyl cinnamate.

Project description:In the title compound, C(17)H(14)O(4), the C=C bond adopts an E conformation and the dihedral angle between the benzene rings is 73.9 (1)°. The crystal packing features C-H⋯O hydrogen bonds, which generate C(4) chains propagating along the b-axis direction. Weak aromatic π-π stacking inter-actions [centroid-centroid distance = 3.703 (1) Å] are also observed.

| S-EPMC3393973 | biostudies-literature

(E)-Methyl 2-[(2-formyl-6-meth-oxy-phen-oxy)meth-yl]-3-phenyl-acrylate.

Project description:The title compound, C(19)H(18)O(5), crystallizes with two independent mol-ecules (A and B) in an asymmetric unit in both of which the two aromatic rings are in a bis-ectional orientation as evidenced by the dihedral angle between them [41.7?(1)° in mol-ecule A and 35.6?(1)° in mol-ecule B]. Both mol-ecules adopt an E configuration with respect to the C=C bond. An intra-molecular C-H?O hydrogen-bond occurs in mol-ecule A. The crystal packing features inter-molecular C-H?O inter-actions.

| S-EPMC3254561 | biostudies-literature

4-Allyl-2-meth-oxy-phenyl 3,4-dichloro-benzene-sulfonate.

Project description:The title compound, C(16)H(14)Cl(2)O(4)S, was obtained by the reaction of eugenol (4-allyl-2-meth-oxy-phenol) and 3,4-dichloro-benzene-sulfonyl chloride. The dihedral angle between the benzene rings in the mol-ecule is 40.53?(4)°. No significantly short inter-molecular contacts are observed in the crystal structure.

| S-EPMC3247470 | biostudies-literature

N-(2-Formyl-phen-yl)-4-meth-oxy-N-(4-meth-oxy-phenyl-sulfon-yl)benzene-sulfonamide.

Project description:In the title compound, C(21)H(19)NO(7)S(2), the dihedral angles between the formyl-phenyl ring and the two meth-oxy-phenyl rings are 33.87 (9) and 41.00 (10)°. The S atoms have a distorted tetra-hedral geometry and the N atom shows a trigonally planar [r.m.s. deviation = 0.0437 (13) Å] coordination. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3238957 | biostudies-literature

2-(5,7-Dimeth-oxy-4-oxo-4H-chromen-2-yl)phenyl 4-toluene-sulfonate.

Project description:In the crystal structure of the title compound, C(24)H(20)O(7)S, the chromone system makes a dihedral angle of 37.32 (7)° with the adjacent benzene ring. The chromone ring system and the tolyl ring are almost parallel, with a dihedral angle of 4.56 (9)°. The tolyl ring is twisted at an angle of 41.75 (6)° with respect to the benzene ring. Weak intra- and inter-molecular C-H⋯O inter-actions are observed.

| S-EPMC2962194 | biostudies-literature

trans-Dichlorido-bis-[tris(4-meth-oxy-phenyl)-phosphane]palladium(II) toluene solvate.

Project description:In the title compound, trans-[PdCl(2){P(4-MeOC(6)H(4))(3)}(2)]·C(7)H(8), the Pd(II) atom lies on a center of symmetry, resulting in a distorted trans-square planar geometry. The Pd-P and Pd-Cl bond lengths are 2.3409?(4) and 2.2981?(4)?Å, respectively. An intra-molecular C-H?Cl hydrogen bond occurs. In the crystal, weak C-H?O inter-actions are observed between the aromatic rings of adjacent mol-ecules. The toluene solvate molecule is equally disordered over two sets of sites.

| S-EPMC3009065 | biostudies-literature

4-Formyl-2-nitro-phenyl benzoate.

Project description:In the title nitroaryl benzoate derivative, C14H9NO5, the aromatic rings form a dihedral angle of 46.37 (8)°. The central ester moiety, -C-(C=O)-O-, is essentially planar (r.m.s. deviation for all non-H atoms = 0.0283 Å) and forms a dihedral angle of 54.06 (9)° with the 4-formyl-2-nitro-phenyl ring and 7.99 (19)° with the benzoate ring. In the crystal, mol-ecules are inter-twined by weak C-H⋯O inter-actions, forming helical chains along [100].

| S-EPMC3998475 | biostudies-literature

Bis(carboxy-meth-yl)ammonium 4-toluene-sulfonate.

Project description:The imino-diacetic acid component of the title salt, C(4)H(8)NO(4) (+)·C(7)H(7)SO(3) (-), is protonated at the N atom. The cation uses the ammonium group to form hydrogen bonds to the O atoms of two adjacent sulfonate groups. In addition, the carboxylic acid portions of the cation form hydrogen bonds to the sulfonate groups. The hydrogen-bonding inter-actions give rise to a layer structure.

| S-EPMC2960710 | 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