Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Phenyl-methanaminium chloro-acetate.

ABSTRACT: In the title compound, C(7)H(10)N(+)·C(2)H(2)ClO(2) (-), the planar chloracetate ion [with a maximum deviation of 0.025?(3)?Å] is oriented at a dihedral angle of 31.07?(4)° with respect to the planar [maximum deviation of 0.022?(3)?Å] phenyl-methanaminium cation. In the crystal structure, inter-mol-ecular N-H?O hydrogen bonds link the mol-ecules into a network. A weak C-H?? inter-action is also present.

SUBMITTER: Shahwar D

PROVIDER: S-EPMC2969526 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Phenyl-methanaminium chloro-acetate.

Shahwar Durre D Tahir M Nawaz MN Ahmad Naeem N Khan Muhammad Akmal MA Yasmeen Asma A

Acta crystallographica. Section E, Structure reports online 20090520 Pt 6

In the title compound, C(7)H(10)N(+)·C(2)H(2)ClO(2) (-), the planar chloracetate ion [with a maximum deviation of 0.025 (3) Å] is oriented at a dihedral angle of 31.07 (4)° with respect to the planar [maximum deviation of 0.022 (3) Å] phenyl-methanaminium cation. In the crystal structure, inter-mol-ecular N-H⋯O hydrogen bonds link the mol-ecules into a network. A weak C-H⋯π inter-action is also present. ...[more]

PMID: 21583169

Similar Datasets

Tris(hy-droxy-meth-yl)methanaminium trifluoro-acetate.

Project description:In the crystal structure of the title salt, C(4)H(12)NO(3) (+)·C(2)F(3)O(2) (-), N-H?O and O-H?O hydrogen bonds link the ions, forming a complex three-dimensional network.

| S-EPMC3254416 | biostudies-literature

Ethyl (Z)-2-chloro-2-(2-phenyl-hydrazin-1-yl-idene)acetate.

Project description:The title compound, C(10)H(11)ClN(2)O(2), features an almost planar C(ar)-N(H)-N=C(Cl) unit [torsion angle = 0.8 (1)° whose phenyl substituent is almost coplanar with it [dihedral angle = 2.8 (2)°]; this unit is slightly twisted with respect to the carboxyl -CO(2) fragment [dihedral angle = 10.3 (2)°]. In the crystal, the amino group acts as a hydrogen-bond donor to the carbonyl O atom of an adjacent mol-ecule; the hydrogen bond generates a helical chain that runs along the b axis of the monoclinic unit cell.

| S-EPMC3007979 | biostudies-literature

(4-Hydroxy-phen-yl)methanaminium 2-(4-sulfanylphen-yl)acetate.

Project description:In the title mol-ecular salt, C(7)H(10)NO(+)·C(8)H(7)O(2)S(-), the crystal structure is stabilized by inter-molecular N-H?O, O-H?N and C-H?O hydrogen bonds.

| S-EPMC2970201 | biostudies-literature

Methanaminium 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate.

Project description:In the crystal structure of the title compound, CH(6)N(+)·C(9)H(3)Cl(4)O(4) (-), the N atom of the methyl-amine mol-ecule is protonated and hydrogen bonded to the carboxyl group of the 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate anion. The anions are linked by the cations via inter-molecular N-H⋯O inter-actions into chains extending along the c axis.

| S-EPMC3052077 | biostudies-literature

Methyl (R)-2-(2-chloro-phen-yl)-2-(3-nitro-phenyl-sulfon-yloxy)acetate.

Project description:The reaction between methyl (R)-2-(2-chloro-phen-yl)-2-hy-droxy-acetate and 3-nitro-benzene-sulfonyl chloride gave the title compound, C(15)H(12)ClNO(7)S, which is a promising inter-mediate for the synthesis of Clopidrogel, an anti-platelet drug used in the prevention of strokes and heart attacks. In the crystal, mol-ecules are linked through C-H?O interactions, and there is also a short Cl?O contact present [Cl?O = 3.018?(2)?Å].

| S-EPMC3379285 | biostudies-literature

(Z)-2-(2-Chloro-3,3,3-trifluoro-prop-1-en-yl)-6-methoxy-phenyl acetate.

Project description:The crystal structure of the title compound, C(12)H(10)ClF(3)O(3), was determined in order to establish the configuration of the C=double bond. The compound was found to be the Z isomer. The crystal structure is dominated by Cl⋯O halogen bonds [Cl⋯O = 3.111 (3) Å], as well as C-H⋯O and C-H⋯F hydrogen-bonding inter-actions, that connect neighboring mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC2961540 | biostudies-literature

(4-Chloro-phen-yl)methanaminium chloride hemihydrate.

Project description:In the title hydrated salt, C(7)H(9)ClN(+)·Cl(-)·0.5H(2)O, the water O atom lies on a crystallographic twofold axis. In the crystal, the monoprotonated 4-chloro-benzyl-ammonium cation forms N-H?Cl and N-H?O hydrogen bonds and the water mol-ecule forms O-H?Cl hydrogen bonds, generating layers lying parallel to the bc plane.

| S-EPMC3006684 | biostudies-other

Ethyl 2-{[5-(3-chloro-phen-yl)-1-phenyl-1H-pyrazol-3-yl]-oxy}acetate.

Project description:The title compound, C(19)H(17)ClN(2)O(3), was synthesized by the reaction of 5-(3-chloro-phen-yl)-1-phenyl-1H-pyrazol-3-ol and ethyl 2-bromo-acetate. In the crystal, the C- and N-linked benzene rings are twisted by 45.15?(3) and 53.55?(3)°, respectively, from the plane of the bridging 1H-pyrazole ring.

| S-EPMC3254470 | biostudies-literature

4-Chloro-phenyl 4-chloro-benzoate.

Project description:The structure of the title compound (4CP4CBA), C(13)H(8)Cl(2)O(2), resembles those of 4-methyl-phenyl 4-chloro-benzoate (4MP4CBA), 4-chloro-phenyl 4-methyl-benzoate (4CP4MBA) and 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA), with similar bond parameters. The dihedral angle between the two benzene rings in 4CP4CBA is 47.98 (7)°, compared with 51.86 (4)° in 4MP4CBA, 63.89 (8)° in 4CP4MBA and 63.57 (5)° in 4MP4MBA. In the crystal structure, mol-ecules are linked into helical chains running along the b axis by C-H-O hydrogen bonds.

| S-EPMC2962199 | biostudies-literature

4-[(E)-(3-Chloro-4-methyl-phen-yl)imino-meth-yl]-2-methoxy-3-nitro-phenyl acetate.

Project description:The title compound, C(17)H(15)ClN(2)O(5), displays a trans-configuration with respect to the C=N double bond. The mol-ecule is twisted, the dihedral angle between the mean planes of the two benzene rings being 18.70 (12)°. The nitro, meth-oxy and acetyl groups are oriented at 80.70 (11), 35.2 (2) and 72.35 (10)°, respectively, to the benzene ring to which they are bonded. The crystal structure is stabilized by weak C-H⋯O hydrogen-bonding contacts.

| S-EPMC3274996 | 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