Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Methyl-anilinium 2-carb-oxy-acetate.

ABSTRACT: During the formation of the title salt, C(7)H(10)N(+)·C(3)H(3)O(4) (-), an H atom of a carboxyl group was transferred to the amino group. All non-H atoms of the cation are essentially coplanar [r.m.s. deviation = 0.007?(4)?Å]. The mean planes of the carboxyl-ate and carboxyl groups of the anion form a dihedral of 69.67?(1)°. In the crystal, N-H?O and O-H?O hydrogen bonds connect the anions and cations, forming a two-dimensional network parallel to the bc plane.

SUBMITTER: Wang YC

PROVIDER: S-EPMC3393260 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Methyl-anilinium 2-carb-oxy-acetate.

Wang Ying-Chun YC

Acta crystallographica. Section E, Structure reports online 20120602 Pt 7

During the formation of the title salt, C(7)H(10)N(+)·C(3)H(3)O(4) (-), an H atom of a carboxyl group was transferred to the amino group. All non-H atoms of the cation are essentially coplanar [r.m.s. deviation = 0.007 (4) Å]. The mean planes of the carboxyl-ate and carboxyl groups of the anion form a dihedral of 69.67 (1)°. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect the anions and cations, forming a two-dimensional network parallel to the bc plane. ...[more]

PMID: 22807817

Similar Datasets

4-Ethyl-anilinium 2-carb-oxy-acetate.

Project description:In the crystal structure of the title compound, C(8)H(12)N(+)·C(3)H(3)O(4) (-), the hydrogen malonate anions are linked into infinite chains parallel to the b axis by inter-molecular O-H?O hydrogen bonds of the type COO(-)?HO(2)C in a head-to-tail fashion. The 4-ethyl-anilinium cations link adjacent anion chains by inter-molecular N-H?O hydrogen bonds into a two-dimensional network parallel to the b and c axes.

| S-EPMC3007306 | biostudies-literature

4-Hy-droxy-anilinium 2-carb-oxy-acetate.

Project description:In the title compound, C(6)H(8)NO(+)·C(3)H(3)O(4) (-), the amino N atom is protonated, and one of the carboxyl groups is deprotonated to maintain the charge balance. In the crystal, classical N-H?O and O-H?O hydrogen bonds connect the ions into a two-dimensional network parallel to the ac plane. In addition, the structure is further stabilized by C-H?O and ?-? inter-actions [centroid-centroid distance = 4.115?(2)?Å].

| S-EPMC3379490 | biostudies-literature

2-Amino-anilinium 2-carb-oxy-acetate.

Project description:In the crystal structure of the title compound, C(6)H(9)N(2) (+)·C(3)H(3)O(4) (-), all the amino H atoms are involved in inter-molecular N-H?O hydrogen bonds, which link the ions into double chains parallel to [101]. In the anion, an intra-molecular O-H?O hydrogen bond is observed.

| S-EPMC3212276 | biostudies-other

4-Chloro-anilinium 2-carb-oxy-acetate.

Project description:In the title molecular salt, C(6)H(7)ClN(+)·C(3)H(3)O(4) (-), the components are linked by N-H?O and O-H?O hydrogen bonds, leading to a two-dimensional network parallel to the bc plane. Weak C-H?O inter-actions are also observed.

| S-EPMC3393895 | biostudies-other

2-Amino-5-methyl-pyridinium 2-carb-oxy-acetate.

Project description:In the title mol-ecular salt, C(6)H(9)N(2) (+)·C(3)H(3)O(4) (-), the cation is essentially planar, with a maximum deviation of 0.010?(3)?Å. In the anion, an intra-molecular O-H?O hydrogen bond generates an S(6) ring and results in a folded conformation. In the crystal, the protonated NH group and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. Weak inter-molecular C-H?O inter-actions help to further stabilize the crystal structure.

| S-EPMC2979470 | biostudies-literature

2-Amino-anilinium 6-carb-oxy-picolinate monohydrate.

Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·H(2)O, one amino group of diamino-benzene is protonated while one carb-oxy group of pyridine-2,6-dicarb-oxy-lic acid is deprotonated. In the anion, the CO(2) and CO(2)H groups make dihedral angles of 4.0?(5) and 8.7?(4)° with the pyridine ring. In the crystal, extensive N-H?O, N-H?N and O-H?O hydrogen bonds occur between anions, cations and water mol-ecules.

| S-EPMC3212287 | biostudies-literature

2,4,6-Trimethyl-anilinium 2-carb-oxy-ethano-ate.

Project description:The anion of the title molecular salt, C(9)H(14)N(+)·C(3)H(3)O(4) (-), features an intra-molecular O-H?O hydrogen bond. In the crystal, inter-molecular N-H?O inter-actions link each cation to three different anions.

| S-EPMC3212311 | biostudies-literature

5-Carb-oxy-2,4-dihy-droxy-anilinium chloride.

Project description:In the title salt, C(7)H(8)NO(4) (+)·Cl(-), the organic group is planar with an r.m.s. deviation of 0.0265 Å. An S(6) ring motif is formed due to an intra-molecular O-H⋯O hydrogen bond. The compound consists of dimers due to inter-molecular O-H⋯O hydrogen bonds with an R(2) (2)(8) ring motif. The dimers are inter-linked through strong N-H⋯Cl and O-H⋯Cl hydrogen bonds, resulting in a three-dimensional polymeric network.

| S-EPMC3007849 | biostudies-literature

4-Meth-oxy-anilinium 2-carb-oxy-4,5-di-chloro-benzoate.

Project description:In the title salt C7H10NO(+)·C8H3Cl2O4 (-) the benzene rings of the cation and anion are essentially parallel [inter-ring dihedral angle 4.8?(2)°]. In the anion the carb-oxy-lic acid and carboxyl-ate groups make dihedral angles of 19.0?(2) and 79.5?(2)°, respectively, with the benzene ring. Aminium N-H?O, carb-oxy-lic acid O-H?O and weak aromatic C-H?O hydrogen-bonding associations with carboxyl O-atom acceptors together with cation-anion ?-? ring inter-actions [minimum ring centroid separation = 3.734?(3)?Å] give rise to a sheet structure lying parallel to (001).

| S-EPMC3790412 | biostudies-literature

4-Carb-oxy-anilinium chloride.

Project description:In the title salt, C(7)H(8)NO(2) (+)·Cl(-), the cation and anion are linked by an O-H?Cl hydrogen bond. The three-dimensional crystal structure is stabilized by N-H?O and N-H?Cl hydrogen bonds.

| S-EPMC3238904 | biostudies-other

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