Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Carb-oxy-1-phenyl-ethanaminium perchlorate.

ABSTRACT: In the title compound, C(9)H(12)NO(2) (+)·ClO(4) (-), an intra-molecular N-H?O inter-action results in the formation of a six-membered ring having a twisted chair conformation. In the crystal structure, inter-molecular O-H?O, N-H?O and C-H?O inter-actions link the mol-ecules into a network. A weak C-H?? inter-action is also found.

SUBMITTER: Li XZ

PROVIDER: S-EPMC2969710 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-Carb-oxy-1-phenyl-ethanaminium perchlorate.

Li Xiu-Zhi XZ Li Hui H Qu Zhi-Rong ZR

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

In the title compound, C(9)H(12)NO(2) (+)·ClO(4) (-), an intra-molecular N-H⋯O inter-action results in the formation of a six-membered ring having a twisted chair conformation. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O inter-actions link the mol-ecules into a network. A weak C-H⋯π inter-action is also found. ...[more]

PMID: 21583083

Similar Datasets

2-Carb-oxy-1-phenyl-ethanaminium nitrate.

Project description:In the title salt, C(9)H(12)NO(2) (+)·NO(3) (-), the cation and anion are linked by a bifurcated N-H?(O,O) hydrogen bond. The crystal packing is stabilized by inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds, which connect neighbouring cations and anions, resulting in a two-dimensional network.

| S-EPMC2971080 | biostudies-literature

2-Carb-oxy-1-(3-nitro-phen-yl)ethanaminium perchlorate.

Project description:In the cation of the title compound, C(9)H(11)N(2)O(4) (+)·ClO(4) (-), the conformation is stabilized by an intra-molecular N-H?O hydrogen bond. In the crystal packing, centrosymmetrically related cations inter-act through inter-molecular O-H?O hydrogen bonds involving the carb-oxy groups, forming dimers. The dimers and the perchlorate anions are further linked into layers parallel to the ab plane by C-H?O and N-H?O hydrogen-bonding inter-actions.

| S-EPMC2980062 | biostudies-literature

(±)-Bis(1-carb-oxy-2-phenyl-ethanaminium) hexa-fluoro-silicate(VI).

Project description:The asymmetric unit of the title fluoro-silicate salt, 2C(9)H(12)NO(2) (+)·SiF(6) (2-), consists of a phenylalaninium cation and half of a fluorosilicate anion, the Si atom being located on an inversion center. In the crystal, all of the F atoms act as hydrogen-bond acceptors and link the cations through different graph-set motifs, forming layers developing parallel to (100).

| S-EPMC3379370 | biostudies-literature

Crystal structure of 2-phenyl-ethanaminium 3-carb-oxy-prop-2-enoate.

Project description:The title mol-ecular salt, C8H12N(+)·C4H3O4 (-), crystallized with two independent cations and anions in the asymmetric unit. The ethanaminium side chains of the cations exhibit anti conformations [C-C-C-N torsion angles = 176.5 (3) and -179.4 (3)°]. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds connect adjacent anions and cations, and , O-H⋯O hydrogen bonds connect adjacent anions, generating sheets parallel to (001).

| S-EPMC4555434 | biostudies-literature

2-Carb-oxy-1-(3-nitro-phen-yl)ethanaminium perchlorate.

Project description:In the title compound, C(9)H(11)N(2)O(4) (+)·ClO(4) (-), the organic cations form centrosymmetric dimers via a pair of O-H?O hydrogen bonds between the carboxyl groups. In the crystal, N-H?O inter-actions between the protonated amine group and the perchlorate anions and the nitro group connect the components into a two-dimensional network parallel to (001).

| S-EPMC2979896 | biostudies-other

2-Amino-3-carb-oxy-pyridinium perchlorate.

Project description:The asymmetric unit includes two crystallographically independent equivalents of the title salt, C(6)H(7)N(2)O(2) (+)·ClO(4) (-). The cations and anions form separate layers alternating along the c axis, which are linked by N-H?O, O-H?O and C-H?O hydrogen bonds into a two-dimensional network parallel to (100). Further C-H?O contacts connect these layers, forming a three-dimensional network, in which R(4) (4)(20) rings and C(2) (2)(11) infinite chains can be identified.

| S-EPMC3379211 | biostudies-literature

(S)-1-Carb-oxy-2-(4-nitro-phen-yl)ethanaminium bromide.

Project description:In the crystal structure of the title compound, C(9)H(11)N(2)O(4) (+)·Br(-), the ethanaminium cations and Br(-) anions are linked together by N-H?Br and O-H?Br hydrogen bonding. In the cation, the nitro group is twisted with respect to the benzene ring, making a dihedral angle of 21.43?(5)°.

| S-EPMC2970301 | biostudies-literature

(1H-Benzimidazole-5-carb-oxy-lic acid-κN)(1H-benzimidazole-6-carb-oxy-lic acid-κN)silver(I) perchlorate.

Project description:The reaction of 1H-benzimidazole-5-carb-oxy-lic acid with silver nitrate in the presence of perchloric acid under hydro-thermal conditions yielded the title complex, [Ag(C(8)H(6)N(2)O(2))(2)]ClO(4), which comprises of an [Ag(C(8)H(6)N(2)O(2))(2)] mononuclear cation and a perchlorate anion. The Ag(I) ion is coordinated by two N atoms from two different neutral 1H-benzimidazole-5-carb-oxy-lic acid ligands with an N-Ag-N bond angle of 163.21 (14)°, forming an [Ag(C(8)H(6)N(2)O(2))(2)] mononuclear cation. Although both ligands in the mononuclear cation are monodentate with one N atom coordinated to the metal ion, they are different: one is N(3) coordinated to the Ag (I) ion and the N(1) atom protonated, the other with the N(1) coordinated to the Ag (I) ion and the N(3) atom protonated (and thus formally a 1H-benzimidazole-6-carb-oxy-lic acid rather than a 1H-benzimidazole-5-carb-oxy-lic acid ligand). The planes of the two planar ligands are roughly perpendicular, making a dihedral angle of 84.97 (2)°. The packing of the ions is stablized by extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and by remote Ag⋯O inter-actions [3.002 (3), 3.581 (5) and 3.674 (5) Å].

| S-EPMC3099977 | biostudies-literature

3-Carb-oxy-2-methoxy-phenyl-boronic acid.

Project description:The mol-ecular structure of the title compound, 3-COOH-2-CH(3)O-C(6)H(3)B(OH)(2) or C(8)H(9)BO(5), is stabilized in part due to the presence of an intra-molecular O-H?O hydrogen bond. In the crystal structure, mol-ecules are linked by inter-molecular O-H?O hydrogen bonds, generating a two-dimensional sheet structure aligned parallel to the (11) plane.

| S-EPMC2959364 | biostudies-literature

4,4'-[(5-Carb-oxy-1,3-phenyl-ene)bis-(-oxy)]dibenzoic acid.

Project description:In the title compound, C(21)H(14)O(8), the central benzene ring makes dihedral angles of 77.8?(6) and 75.9?(5)° with the outer benzene rings. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds involving carboxyl groups, forming one-dimensional ladders. Two-dimensional layers are formed by inter-penetration of these one-dimensional ladders.

| S-EPMC3344173 | 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