Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(2-Thienylmethyl-eneamino)benzoic acid.

ABSTRACT: In the title mol-ecule, C(12)H(9)NO(2)S, the dihedral angle between benzene and thio-phene rings is 41.91?(8)°. The crystal packing exhibits short inter-molecular O-H?O and C-H?O hydrogen-bonding contacts.

SUBMITTER: Cui H

PROVIDER: S-EPMC2971023 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-(2-Thienylmethyl-eneamino)benzoic acid.

Cui Hui H Tao Xuquan X

Acta crystallographica. Section E, Structure reports online 20091003 Pt 11

In the title mol-ecule, C(12)H(9)NO(2)S, the dihedral angle between benzene and thio-phene rings is 41.91 (8)°. The crystal packing exhibits short inter-molecular O-H⋯O and C-H⋯O hydrogen-bonding contacts. ...[more]

PMID: 21578250

Similar Datasets

(E)-5-(2-Thienylmethyl-eneamino)quinolin-8-ol.

Project description:Two mol-ecules of the title compound, C(14)H(10)N(2)OS, are hydrogen bonded about a center of inversion. In the mol-ecule, the two aromatic rings are twisted by 37.27?(5)° with respect to one another. The azomethine bond is in the E configuration.

| S-EPMC2915360 | biostudies-literature

N-(2-Thienylmethyl-ene)-2-(2-{[2-(2-thienylmethyl-eneamino)phen-yl]sulfan-yl}ethyl-sulfan-yl)aniline.

Project description:The asymmetric unit of the title compound, C(24)H(20)N(2)S(4), contains one half-mol-ecule: a crystallographic centre of inversion is located at the mid-point of the two central C atoms. The thio-phene ring is oriented at a dihedral angle of 60.64?(3)° with respect to the benzene ring. In the crystal structure, ?-? contacts between thio-phene rings [centroid-centroid distance = 3.581?(1)?Å] may stabilize the structure. A weak C-H?? inter-action is also present.

| S-EPMC2969378 | biostudies-literature

1-Benzoyl-methyl-3-(2-thienylmeth-yl)-4-(2-thienylmethyl-eneamino)-1H-1,2,4-triazol-5(4H)-one.

Project description:In the title compound, C(20)H(16)N(4)O(2)S(2), one of the thio-phene rings is disordered [occupancy ratio 0.710?(4):0.290?(4)] and the disorder is of the flip type. An intra-molecular C-H?O hydrogen bond generates a six-membered ring with an S(6) motif.

| S-EPMC2979876 | biostudies-other

3-Amino-benzoic acid-4-nitro-benzoic acid (1/1).

Project description:In the title 1:1 adduct, C(7)H(5)NO(4)·C(7)H(7)NO(2), the nitro group of the 4-nitro benzoic acid is twisted from the attached ring by 4.40 (8)°. In the crystal, the mol-ecules are linked into ribbon-like structures along [150] and [10] via O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O inter-molecular hydrogen bonds.

| S-EPMC2960102 | biostudies-literature

2,6-Difluoro-benzoic acid.

Project description:In the title compound, C(7)H(4)F(2)O(2), the dihedral angle between the benzene ring and the carboxyl-ate group is 33.70?(14)°. In the crystal structure, inversion dimers linked by pairs of O-H?O hydro-gren bonds occur, generating R(2) (2)(8) loops. The dimers are linked into sheets lying parallel to (102) by C-H?F hydrogen bonds.

| S-EPMC3007258 | biostudies-literature

2,3-Difluoro-benzoic acid.

Project description:2,3-Difluoro-benzoic acid, C(7)H(4)F(2)O(2), forms dimers that are stabilized by hydrogen bonds. The dimers are stacked and the stacks are held together by weak C-H⋯F and C-H⋯O inter-actions.

| S-EPMC2960366 | biostudies-literature

2,4,6-Trifluoro-benzoic acid.

Project description:In the title compound, C(7)H(3)F(3)O(2), the C-C-C angles in the ring are greater than 120° for F-bonded C atoms [123.69 (13), 123.88 (12) and 123.66 (12)°]. In the crystal, inter-molecular O-H⋯O hydrogen bonds between carboxyl groups give rise to the formation of a centrosymmetric dimer, while dispersive F⋯O contacts [2.8849 (16) Å] connect the dimers into infinite strands along the a axis.

| S-EPMC3051684 | biostudies-literature

4-Benzene-sulfonamido-benzoic acid.

Project description:In the mol-ecule of the title sulfonamide compound, C(13)H(11)NO(4)S, the dihedral angle between the planes of the benzene ring and the carboxyl substituent group is 6.7?(4)°. The two aromatic rings are inclined at 45.36?(15)° to one another. In the crystal, adjacent mol-ecules are linked via classical inter-molecular N-H?O and O-H?O, and non-classical C-H?O hydrogen bonds, which stabilize the crystal structure.

| S-EPMC2972151 | biostudies-literature

4-(Methyl-amino)benzoic acid.

Project description:The asymmetric unit of the title compound, C(8)H(9)NO(2), contains three crystallographically independent mol-ecules, which are essentially planar, the carboxyl O atoms deviating by 0.091?(3), 0.101?(2) and 0.164?(3)?Å from the mean plane through the non-H atoms. In the crystal, all three mol-ecules form O-H?O hydrogen-bonded about inversion centers, forming eight-membered rings with graph-set notation R(2) (2)(8). In addition, N-H?O hydrogen bonding and C-H?? inter-actions reinforce the packing.

| S-EPMC2970238 | biostudies-literature

Isonicotinonitrile-benzoic acid (1/1).

Project description:In the title 1:1 adduct, C(6)H(4)N(2)·C(7)H(6)O(2), the carboxyl group and its attached phenyl ring are essentially coplanar, being twisted from each other by a dihedral angle of only 2.05?(3)°. In the crystal, the mol-ecules are connected via O-H?N and C-H?O hydrogen bonds, building an R(2) (2)(7) ring. Mol-ecules are further linked through ?-? inter-actions [centroid-centroid distance of 3.8431?(8) and 3.9094?(8)?Å], leading to a one-dimensional chain parallel to the b axis.

| S-EPMC2983705 | 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