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4-Amino-pyridinium 5-carb-oxy-penta-noate monohydrate.

ABSTRACT: In the title hydrated salt, C(5)H(7)N(2) (+)·C(6)H(9)O(4) (-)·H(2)O, the carb-oxy H atom is disordered over two positions with equal occupancy. In the crystal, O atoms of the 5-carb-oxy-penta-noate anion link the 4-amino-pyridinium cations and water mol-ecules into a three-dimensional network via N-H⋯O hydrogen bonds. The crystal structure is further consolidated by O-H⋯O hydrogen bonds involving the anion and the solvent water mol-ecule.

SUBMITTER: Raj SA

PROVIDER: S-EPMC3393984 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of a new mol-ecular salt: 4-amino-benzenaminium 5-carb-oxy-penta-noate.

Project description:The asymmetric unit of the title mol-ecular salt (systematic name: 4-amino-anilinium 5-carb-oxy-penta-noate), C6H9N2+·C6H9O4-, consists of half a 4-amino-benzenaminium cation (4-ABA) and half a 5-carb-oxy-penta-noate anion (5-CP); the other half of each ion is generated by inversion symmetry. Protonation of p-phenyl-enedi-amine (PPDA) leads to the formation of a 1:1 salt, but scrutiny of the crystal structure reveals that both of the amine groups of PPDA are partially protonated, with a half-occupied H atom. For the 5-CP anion, an H atom is positioned on an inversion center midway between two O atoms of inversion-related 5-CP ions. In the crystal, the 5-CP anions are linked by the O-H?O hydrogen bond to form chains propagating along the [1-10] direction. The chains are linked via N-H?O and N-H?N hydrogen bonds involving the 4-ABA cations, forming a three-dimensional supra-molecular framework. The title salt was also prepared by mechanochemical synthesis using liquid-assisted grinding (LAG). Its PXRD pattern matches that of the simulated pattern of the crystal structure of the title mol-ecular salt.

| S-EPMC5956337 | biostudies-literature

2-Amino-4-methyl-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(-)·H(2)O, the water mol-ecule acts as an acceptor of bifurcated N-H?O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R(2) (1)(6) ring. The 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions self-assemble via O-H?O hydrogen bonds, leading to supra-molecular chains along the a axis. These chains and R(2) (1)(6) motifs are linked via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a layer parallel to the ac plane. There is also an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, generating an S(6) ring motif.

| S-EPMC3007430 | 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

4-Methyl-pyridinium 2-carb-oxy-4,5-dichloro-benzoate monohydrate.

Project description:In the structure of the 1:1 proton-transfer compound of 4-methyl-pyridine (?-picoline) with 4,5-dichloro-phthalic acid, C(6)H(8)N(+)·C(8)H(3)Cl(2)O(4) (-)·H(2)O, determined at 200?K, the 4,5-dichloro-phthalate anions are bridged by the water mol-ecule through O-H?O(carbox-yl) hydrogen bonds, giving zigzag chains which extend along the c-axis direction. The 4-methyl-pyridinium cations are linked to the chains through single N-H?O(water) hydrogen bonds and occupy the voids within the chains in the one-dimensional structure. The anions have the common 'planar' conformation with a short intra-molecular O-H?O(carbox-yl) hydrogen bond.

| S-EPMC2979372 | 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

2-Amino-3-carb-oxy-pyridinium chloride hemihydrate.

Project description:The asymmetric unit of the title compound, C(6)H(7)N(2)O(2) (+)·Cl(-)·0.5H(2)O, consists of two protonated 2-amino-3-carb-oxy-pyridine cations, two chloride anions and one mol-ecule of water. The crystal packing can be described as alternating layers of cations and anions parallel to (110), which are linked together by O(w)-H?Cl inter-actions. In the crystal, four types of classical hydrogen bonds are observed, viz. cation-anion (O-H?Cl and N-H?Cl), cation-cation (N-H?O), cation-water (N-H?O(w)) and water-anion (O(w)-H?Cl), resulting in the formation of an infinite three-dimensional network.

| S-EPMC3344603 | 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-(3-Amino-pyridinium-1-yl)-3-carb-oxy-propano-ate monohydrate.

Project description:The title compound, C(9)H(10)N(2)O(4)·H(2)O, was obtained as a zwitterion derived from the nucleophilic attack of 3-amino-pyridine on the fumaric ?,?-system. Within the molecule, the amino-pyridine moiety and the carboxyl-ate and carb-oxy-lic acid fragments form dihedral angles of 68.6?(2) and 62.8?(2)°, respectively. The geometry adopted by the mol-ecule does not allow the formation of centrosymmetric dimeric hydrogen-bonded units; instead chains along the a axis are linked by COO-H?OOC motifs. These chains are inter-connected by N-H?O and O-H?O hydrogen bonds involving the carb-oxy-lic acid and carboxyl-ate units and the solvent water mol-ecules.

| S-EPMC3297908 | biostudies-other

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

Project description:In the title salt, C(6)H(9)N(2) (+)·C(8)H(5)O(4) (-), the hydrogen phthalate anion is essentially planar, with a maximum deviation of 0.011?(2)?Å. In the crystal structure, the protonated N atom of the pyridine ring 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. In the hydrogen phthalate anion, there is a very strong, almost symmetric, intra-molecular O-H?O hydrogen bond, generating an S(7) motif [O?O = 2.382?(3)?Å]. Furthermore, these two molecular motif rings are connected by a bifurcated N-H?(O,O) hydrogen-bonded motif R(1) (2)(4), forming a supra-molecular ribbon along the b axis. The crystal structure is further stabilized by ?-? inter-actions between the cations and anions [centroid-centroid distance = 3.6999?(10)?Å].

| S-EPMC3008103 | biostudies-literature

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