Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4'-Acetyl-3''-carbamoyl-[1,1':3',1''-terphen-yl]-2-carb-oxy-lic acid.

ABSTRACT: In the title m-terphenyl derivative, C22H17NO4, the dihedral angles between the aromatic rings of the benzoic acid-acetophenone, acetophenone-benzamide and benzoic acid-benzamide units are 45.39?(8), 48.02?(8) and 42.93?(8)°, respectively. The carbamoyl and carboxyl groups are disordered with a refined occupancy ratio of 0.558?(15):0.442?(15). In the crystal, mol-ecules are linked through O-H?O and N-H?O hydrogen bonds between terminal carboxyl and carbamoyl groups in a bidentate manner, and anti-parallel helices are formed which extend along the b-axis direction.

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC3790450 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4'-Acetyl-3''-carbamoyl-[1,1':3',1''-terphen-yl]-2-carb-oxy-lic acid.

Ishikawa Yoshinobu Y Yoshida Nanako N Suzuki Takafumi T

Acta crystallographica. Section E, Structure reports online 20130928 Pt 10

In the title m-terphenyl derivative, C22H17NO4, the dihedral angles between the aromatic rings of the benzoic acid-acetophenone, acetophenone-benzamide and benzoic acid-benzamide units are 45.39 (8), 48.02 (8) and 42.93 (8)°, respectively. The carbamoyl and carboxyl groups are disordered with a refined occupancy ratio of 0.558 (15):0.442 (15). In the crystal, mol-ecules are linked through O-H⋯O and N-H⋯O hydrogen bonds between terminal carboxyl and carbamoyl groups in a bidentate manner, and ant ...[more]

PMID: 24098269

Similar Datasets

1-(tert-But-oxy-carbon-yl)piperidine-4-carb-oxy-lic acid.

Project description:In the title compound, C(11)H(19)NO(4), the piperidine ring adopts a chair conformation. In the crystal, mol-ecules are linked by inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, forming a layer parallel to the bc plane.

| S-EPMC3200981 | biostudies-literature

4,4'-Bipyridine-2-(carb-oxy-methyl-sulfan-yl)pyridine-3-carb-oxy-lic acid (1/1).

Project description:In the title co-crystal, C(10)H(8)N(2)·C(8)H(7)NO(4)S, the formate group is coplanar with the pyridyl ring of the acid [dihedral angle = 6.2?(7)°], while the carb-oxy-methyl-sulfanyl group makes a C-S-C-C torsion angle of 70.2?(1)° with the pyridine ring. The dihedral angle between the pyridyl rings of the 4,4'-bipyridine mol-ecule is 27.4?(1)°. The acid and the 4,4'-bipyridine mol-ecules are involved in hydrogen bonding via carb-oxy-lic O and pyridyl N atoms. The structure is further consolidated by inter-molecular C-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3011421 | biostudies-literature

3-(4-Meth-oxy-phen-yl)-5-methylisoxazole-4-carb-oxy-lic acid.

Project description:In the title compound, C12H11NO4, the dihedral angle between the benzene and isoxazole rings is 42.52?(8)°. The carb-oxy-lic acid group is close to being coplanar with the isoxazole ring [dihedral angle = 5.3?(2)°]. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R2(2)(8) loops.

| S-EPMC3588455 | biostudies-literature

5-(Hy-droxy-meth-yl)furan-2-carb-oxy-lic acid.

Project description:In the title compound, C(6)H(6)O(4), the furan ring is nearly coplanar with the carboxyl group, the maximum atomic deviation being 0.0248?(9)?Å. The crystal packing is stabilized by classical O-H?O and weak C-H?O hydrogen bonding.

| S-EPMC3120284 | biostudies-literature

2-(4-Methyl-phen-yl)quinoline-4-carb-oxy-lic acid.

Project description:In the title compound, C(17)H(13)NO(2), the dihedral angle between the plane of the carb-oxy group and the quinoline mean plane is 45.05 (13)°, and that between the toluene ring mean plane and the quinoline mean plane is 25.29 (7)°. In the crystal, molecules are linked via O-H⋯.N hydrogen bonds, forming chains propagating along the b-axis direction. These chain are linked via C-H⋯O interactions, forming two-dimensional networks lying parallel to the ab plane.

| S-EPMC3470244 | biostudies-literature

Pyrimidine-4-carb-oxy-lic acid.

Project description:The crystal structure of the title compound, C5H4N2O2, is built of acid mol-ecules located on a mirror plane. They form sheets stacked along the b-axis direction. The mol-ecules inter-act via O-H⋯N hydrogen bonds, forming [001] chains, and weak van der Waals inter-actions.

| S-EPMC3685042 | biostudies-literature

3-Carb-oxy-methyl-1H-indole-4-carb-oxy-lic acid.

Project description:In the title compound, C(11)H(9)NO(4), the carboxyl group bonded to the six-membered ring lies close to the plane of the 1H-indole ring system [dihedral angle = 13.13?(9)°], whereas the carb-oxy-lic acid group linked to the five-membered ring by a methyl-ene bridge is close to perpendicular [78.85?(9)°]. In the crystal, O-H?O and N-H?O hydrogen bonds link the mol-ecules, generating (110) sheets.

| S-EPMC3254489 | biostudies-literature

3-Carbamoyl-2,2-dimethyl-cyclo-pentane-1,1-dicarb-oxy-lic acid.

Project description:In the title compound, C(10)H(15)NO(5), the five-membered cyclo-pentane ring has an envelope conformation, with four atoms lying in a plane (mean deviation = 0.0213?Å), while the fifth atom deviates from this plane by 0.626?(2)?Å. A three-dimensional structure is formed through N-H?O and O-H?O hydrogen bonds between the amide and carb-oxy-lic acid groups and both carb-oxy-lic acid and amide O-atom acceptors.

| S-EPMC3295496 | biostudies-other

3,3'',4,4''-Tetra-meth-oxy-1,1':4',1''-terphen-yl.

Project description:The title mol-ecule, C(22)H(22)O(4), is centrosymmetric with an inversion centre located at the centre of the benzene ring. The 3,4-dimeth-oxy-benzene fragment is essentially planar [maximum deviation = 0.400?(2)?Å] and twisted relative to the central benzene ring, forming a dihedral angle of 21.25?(7)°. In the crystal, C-H?O hydrogen bonds link the mol-ecules into a two-dimensional polymeric structure lying parallel to (100).

| S-EPMC3212286 | biostudies-literature

Crystal structure of [1,1':3',1''-ter-phenyl]-2',3,3''-tri-carb-oxy-lic acid.

Project description:The asymmetric unit of the title compound, C21H14O6, com-prises two symmetrically independent mol-ecules that form a locally centrosymmetric hydrogen-bonded dimer, with the planes of the corresponding carb-oxy-lic acid groups rotated by 15.8 (1) and 17.5 (1)° relative to those of the adjacent benzene rings. The crystal as a whole, however, exhibits a noncentrosymmetric packing, described by the polar space group Pca21. The dimers form layers along the ab plane, being inter-connected by hydrogen bonds involving the remaining carb-oxy-lic acid groups. The plane of the central carb-oxy-lic acid group forms dihedral angles of 62.5 (1) and 63.0 (1)° with those of the adjacent benzene rings and functions as a hydrogen-bond donor and acceptor. As a donor, it inter-connects adjacent layers, while as an acceptor it stabilizes the packing within the layers. The 'distal' carb-oxy-lic acid groups are nearly coplanar with the planes of the adjacent benzene rings, forming dihedral angles of 1.8 (1) and 7.1 (1)°. These groups also form intra- and inter-layer hydrogen bonds, but with 'reversed' functionality, as compared with the central carb-oxy-lic acid groups.

| S-EPMC4555404 | 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