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2-Amino-5-bromo-pyridinium 3-carb-oxy-prop-2-enoate.

ABSTRACT: In the title salt, C(5)H(6)BrN(2) (+)·C(4)H(3)O(4) (-), the 2-amino-5-bromo-pyridinium cation and hydrogen maleate anion are planar, with maximum deviations from their mean planes of 0.016 (1) and 0.039 (1) Å, respectively. An intra-molecular O-H⋯O hydrogen bond generates an S(7) ring motif in the anion. In the crystal, the protonated N atom 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. The motifs are linked into a two-dimensional network parallel to (011) by N-H⋯O and C-H⋯O hydrogen bonds.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC3007912 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Amino-4-methyl-pyridinium (E)-3-carb-oxy-prop-2-enoate.

Project description:In the title salt, C(6)H(9)N(2) (+)·C(4)H(3)O(4) (-), the dihedral angle between the pyridine ring and the plane formed by the hydrogen fumarate anion is 85.67?(6)°. Excluding the amino and methyl groups, the atoms of the cation are coplanar, with a maximum deviation of 0.005?(1)?Å. In the crystal structure, the protonated N atom 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. These motifs are further connected through N-H?O and C-H?O hydrogen bonds, leading to a supra-molecular chain along the c axis. These chains are further cross-linked via a pair of O-H?O hydrogen bonds involving centrosymmetrically related hydrogen fumarate anions, forming a two-dimensional network parallel to (101). These planes are further interconnected by O-H?O interactions into a three-dimensional network.

| S-EPMC3007340 | biostudies-literature

2-Amino-5-chloro-pyridinium (Z)-3-carb-oxy-prop-2-enoate 0.25-hydrate.

Project description:In the title hydrated salt, C(5)H(6)ClN(2) (+)·C(4)H(3)O(4) (-)·0.25H(2)O, the water O atom lies on a twofold axis with 0.25 occupancy. The 2-amino-5-chloro-pyridinium cation is almost planar, with a maximum deviation of 0.015 (3) Å. In the hydrogen malate anion, an intra-molecular O-H⋯O hydrogen bond generates an S(7) ring and results in a folded conformation. In the crystal, the protonated N atom 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. The ion pairs are further connected via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming layers parallel to the ab plane which stack down the c axis.

| S-EPMC3008003 | biostudies-literature

2-Amino-5-bromo-pyridinium 2-carb-oxy-benzoate.

Project description:The asymmetric unit of the title compound, C(5)H(6)BrN(2) (+)·C(8)H(5)O(4) (-), consists of two crystallographically independent 2-amino-5-bromo-pyridinium cations (A and B) and two 2-carb-oxy-benzoate anions (A and B). Each 2-amino-5-bromo-pyridinium cation is approximately planar, with a maximum deviation of 0.047 (1) Å in cation A and 0.027 (1) Å in cation B. The 2-amino-5-bromo-pyridinium unit in cation A is inclined at dihedral angles of 4.9 (3) and 2.2 (3)° with the phenyl rings of the A and B 2-carb-oxy-benzoate anions, respectively. The corresponding angles for cation B are 3.0 (3) and 5.6 (3)°. The mol-ecular structure is stabilized by an intra-molecular O-H⋯O hydrogen bond,which generates an S(7) ring motif. The cations and anions are linked via inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, generating R(2) (2)(8) ring motifs. In the crystal packing, mol-ecules are linked into wave-like chains along [001] via adjacent ring motifs. Short inter-molecular distances between the phenyl and pyridine rings [3.613 (4) and 3.641 (4) Å] indicate the existence of π-π inter-actions. The crystal structure is a non-merohedral twin with a contribution of 0.271 (3) of the minor component.

| S-EPMC3008123 | biostudies-literature

4-Chloro-anilinium 3-carb-oxy-prop-2-enoate.

Project description:In the title compound, C(6)H(7)ClN(+)·C(4)H(3)O(4) (-), the cations and anions lie on mirror planes and hence only half of the mol-ecules are present in the asymmeric unit. The 4-chloro-anilinium cation and hydrogen maleate anion in the asymmetric unit are each planar and are oriented at an angle of 15.6 (1)° to one another and perpendicular to the b axis. A characterestic intra-molecular O-H⋯O hydrogen bond, forming an S(7) motif, is observed in the maleate anion. In the crystal, the cations and anions are linked by N-H⋯O hydrogen bonds, forming layers in the ab plane. The aromatic rings of the cations are sandwiched between hydrogen-bonded chains and rings formed through the amine group of the cation and maleate anions, leading to alternate hydro-phobic (z = 0 or 1) and hydro-philic layers (z = 1/2) along the c axis.

| S-EPMC3343938 | biostudies-literature

2-Amino-5-bromo-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(5)H(6)BrN(2) (+)·C(7)H(5)O(6)S(-), contains two independent 2-amino-5-bromo-pyridinium cations and two independent 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions. The hy-droxy and carboxyl groups of the anions are involved in intra-molecular O-H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal structure, the ions are linked by N-H⋯O and O-H⋯O hydrogen bonds into a two-dimensional network parallel to (110). Adjacent networks are linked via C-H⋯O hydrogen bonds.

| S-EPMC3007841 | biostudies-literature

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

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

Project description:In the crystal structure of the title compound, C(6)H(7)N(2)O(2) (+)·NO(3) (-), the cations are linked via C-H?O hydrogen bonds, forming infinite chains running along the b axis. These chains are further linked through N-H?O, O-H?O and C-H?O hydrogen bonds to the nitrate anions, forming well-separated infinite planar layers parallel to (001).

| S-EPMC3213504 | biostudies-literature

2-Amino-5-bromo-pyridinium 4-carb-oxy-butano-ate.

Project description:In the title salt, C(5)H(6)BrN(2) (+)·C(5)H(7)O(4) (-), the 2-amino-5-bromo-pyridinium cation is essentially planar, with a maximum deviation of 0.005?(3)?Å. In the crystal structure, the proton-ated N atom 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. The ion pairs are further connected via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. In the network, the hydrogen glutarate (4-carb-oxy-butano-ate) anions self-assemble through O-H?O hydrogen bonds, forming a supra-molecular chain along the c axis.

| S-EPMC3007480 | biostudies-other

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

4-Amino-pyridinium 4-carb-oxy-butano-ate.

Project description:The asymmetric unit of the title salt, C(5)H(7)N(2) (+)·C(5)H(7)O(4) (-), contains two 4-amino-pyridinium cations and two 4-carb-oxy-butano-ate anions. Each 4-amino-pyridinium cation is planar, with a maximum deviation of 0.005?(2)?Å. Both 4-carb-oxy-butano-ate anions adopt an extended conformation. In the crystal structure, the cations and anions are linked via N-H?O, O-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3007404 | biostudies-literature

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