Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2,4,5-Trichloro-phen-yl)maleamic acid.

ABSTRACT: The title compound, C(10)H(6)Cl(3)NO(3), crystallizes with two independent mol-ecules in the asymmetric unit. The mol-ecular structure is stabilized by a short intra-molecular O-H?O hydrogen bond within the maleamic unit. In the crystal, each mol-ecule self-associates via N-H?O hydrogen bonds into chains, each running along the b axis. Two short inter-molecular Cl?O contacts [3.1267?(15) and 3.0523?(12)?Å] and C-H?O inter-actions inter-connect these chains into a three-dimensional network.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2980077 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(2,4,5-Trichloro-phen-yl)maleamic acid.

Gowda B Thimme BT Tokarčík Miroslav M Kožíšek Jozef J Shakuntala K K Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20091216 Pt 1

The title compound, C(10)H(6)Cl(3)NO(3), crystallizes with two independent mol-ecules in the asymmetric unit. The mol-ecular structure is stabilized by a short intra-molecular O-H⋯O hydrogen bond within the maleamic unit. In the crystal, each mol-ecule self-associates via N-H⋯O hydrogen bonds into chains, each running along the b axis. Two short inter-molecular Cl⋯O contacts [3.1267 (15) and 3.0523 (12) Å] and C-H⋯O inter-actions inter-connect these chains into a three-dimensional network. ...[more]

PMID: 21580067

Similar Datasets

N-(2,4,6-Trichloro-phen-yl)maleamic acid.

Project description:In the crystal structure of the title compound, C(10)H(6)Cl(3)NO(3), the conformation of the amide bond is trans. The C=O and O-H bonds of the acid group are in the relatively rare anti position to each other. This is a consequence of the intra-molecular O-H?O hydrogen bond donated to the amide carbonyl group stabilizing the mol-ecular structure. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into zigzag chains along the c axis.

| S-EPMC3213587 | biostudies-other

2,2-Diphenyl-N-(2,4,5-trichloro-phen-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(20)H(14)Cl(3)NO, consists of two independent mol-ecules. In one mol-ecule, the chlorinated benzene ring forms dihedral angles of 12.00?(9) and 77.04?(9)° with the phenyl rings. The dihedral angle between the phenyl rings is 80.37?(10)°. The corresponding dihedral angles for the other mol-ecule are 26.34?(10), 62.98?(10) and 88.47?(11)°, respectively. One of the mol-ecules features an intra-molecular C-H?O hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into [100] chains. The chains are further linked by C-H?O and C-H?Cl hydrogen bonds into a three-dimensional network.

| S-EPMC3435685 | biostudies-literature

1-Benzoyl-3-(2,4,5-trichloro-phen-yl)thio-urea.

Project description:The benzene and phenyl rings in the title compound, C(14)H(9)Cl(3)N(2)OS, form a dihedral angle of 40.98?(6)°. The mol-ecule exists in the thione form with typical thio-urea C-S [1.666?(2)?Å] and C-O [1.227?(3)?Å] bond lengths as well as shortened C-N bonds [1.345?(3) and 1.386?(2)?Å]. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, pairs of N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC3254466 | biostudies-literature

1-Cyano-N-(2,4,5-trichloro-phen-yl)cyclo-propane-1-carboxamide.

Project description:In the title compound, C(11)H(7)Cl(3)N(3)O, the dihedral angle between the benzene and cyclo-propane rings is 85.8?(2)°. In the crystal, mol-ecules are linked by C-H?O inter-actions, generating C(5) chains propagating in the a-axis direction.

| S-EPMC3212327 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)maleamic acid.

Project description:The asymmetric unit of the title compound, C(12)H(13)NO(3), contains two independent mol-ecules. The conformation of the N-H bond and the C=O bond in the amide segment are anti to each other. The mol-ecular conformation of each mol-ecule is stabilized by an intra-molecular O-H?O hydrogen bond. In the crystal, mol-ecules are connected through intermolecular N-H?O hydrogen bonds. In addition, there is a carbon-yl-carbonyl dipolar inter-action with an O?C contact of 2.926?(3)?Å.

| S-EPMC2971056 | biostudies-literature

N-(2,4,6-Trimethyl-phen-yl)maleamic acid.

Project description:The mol-ecular structure of the title compound, C(13)H(15)NO(3), is stabilized by a short intra-molecular O-H?O hydrogen bond within the maleamic unit. In the crystal, inter-molecular N-H?O hydrogen bonds link mol-ecules into zigzag chains propagating in [010].

| S-EPMC2971101 | biostudies-literature

N-(3,5-Dichloro-phen-yl)maleamic acid.

Project description:In the title compound, C(10)H(7)Cl(2)NO(3), the asymmetric unit contains four independent mol-ecules, which are linked to each other by N-H?O hydrogen bonds. The mol-ecular structure is stabilized by a short intra-molecular O-H?O hydrogen bond within each maleamic acid unit. In the crystal, the mol-ecules are linked into networks through N-H?O hydrogen bonds and inter-molecular C-Cl?O=C contacts [Cl?O = 3.0897?(12) and 3.0797?(13)?Å].

| S-EPMC2980102 | biostudies-literature

N-(3,4-Dimethyl-phen-yl)maleamic acid.

Project description:The title compound, C(12)H(13)NO(3), crystallizes with four independent mol-ecules in the asymmetric unit. The N-H bond and the C=O bond in the amide segment are anti to each other. The C=C double bond is cis configured and an intra-molecular O-H?O hydrogen bond is formed in each molecule. The mean planes through the aromatic ring and the amide group -NHCO- are inclined at angles of 17.4?(3), 20.8?(2), 16.2?(2) and 11.2?(3)° in the four mol-ecules. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into ribbons along the b axis.

| S-EPMC2971237 | biostudies-literature

N-(2,5-Dichloro-phen-yl)maleamic acid.

Project description:The asymmetric unit of the title compound, C(10)H(7)Cl(2)NO(3), contains two independent mol-ecules. The mol-ecular conformation of each maleamic unit is stabilized by an intra-molecular O-H?O(carbon-yl) hydrogen bond owing to the anti disposition of the participating entities. The mean planes through the benzene ring and the amido group are inclined at angles of 45.7?(1) and 40.8?(1)° in the two mol-ecules. In the crystal, the independent mol-ecules self-associate via N-H?O hydrogen bonds into zigzag ribbons propagating along the a axis. The ribbons are weakly coupled by C-H?? and C-H?O inter-actions.

| S-EPMC2972031 | biostudies-literature

N-(3-Nitro-phen-yl)maleamic acid.

Project description:In the title compound, C(10)H(8)N(2)O(5), the mol-ecule is slightly distorted from planarity. The mol-ecular structure is stabilized by two intra-molecular hydrogen bonds. The first is a short O-H?O hydrogen bond (H?O distance = 1.57?Å) within the maleamic acid unit and the second is a C-H?O hydrogen bond (H?O distance = 2.24?Å) which connects the amide group with the benzene ring. The nitro group is twisted by 6.2?(2)° out of the plane of the benzene ring. The crystal structure manifests a variety of hydrogen bonding. The packing is dominated by a strong inter-molecular N-H?O inter-action which links the mol-ecules into chains running along the b axis. The chains within a plane are further assembled by three additional types of inter-molecular C-H?O hydrogen bonds to form a sheet parallel to the (01) plane.

| S-EPMC3007040 | 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