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2-Amino-3-nitro-pyridinium 4-hy-droxy-benzene-sulfonate.

ABSTRACT: In the crystal structure of the title salt, C(5)H(6)N(3)O(2) (+)·C(6)H(5)O(4)S(-), N-H⋯O and O-H⋯O hydrogen bonds link the cations and anions. The dihedral angle between the rings of the cation and anion is 79.91 (6)°.

SUBMITTER: Lv YH

PROVIDER: S-EPMC3393975 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(4-Nitro-benz-yl)pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Project description:In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(-), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro-benz-yl)pyridinium cation is 82.7?(2)°. Within the anion there is an intramolecular hydroxy-O-H?O(carboxylic acid) bond. In the crystal, the cation forms a single N(+)-H?O(sulfonate) hydrogen bond with the anion. These cation-anion pairs inter-act through duplex anion carb-oxy-lic acid O-H?O(sulfonate) hydrogen bonds, giving a centrosymmetric cyclic association [graph set R(2) (2)(16)]. The crystals studied were non-merohedrally twinned.

| S-EPMC3569266 | biostudies-literature

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

Project description:The asymmetric unit of the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(6)S(-), contains two independent 2-amino-5-chloro-pyridinium cations and two independent 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions. In both anions, the O atoms of the sulfonate group are disordered over two sets of positions, with occupancy ratios of 0.47?(5):0.53?(5) and 0.50?(8):0.50?(8). In each anion, an intra-molecular O-H?O hydrogen bond generating an S(6) motif is observed. 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 (110). The structure is further stabilized by ?-? inter-actions between cations and anions [centroid-centroid distance = 3.5454?(12)?Å]. The crystal studied was a non-merohedral twin, with a ratio of the twin components of 0.715?(3):0.285?(3).

| S-EPMC3008044 | biostudies-literature

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

Project description:The asymmetric unit of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(-), contains two crystallographically independent 2-amino-5-methylpyridinium cations and two sulfosalicylate anions. In the crystal structure, the sulfonate group of each 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion inter-acts with the corresponding 2-amino-5-methyl-pyridinium cation via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ionic units are linked by N-H?O, O-H?O and C-H?O hydrogen bonds. Furthermore, the crystal structure is stabilized by ?-? inter-actions between the benzene and pyridine rings [centroid-centroid distances = 3.5579?(8) and 3.8309?(8)?Å]. There are also intra-molecular O-H?O hydrogen bonds in the anions, which generate S(6) ring motifs.

| S-EPMC3007532 | 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

2,3-Diamino-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the title hydrated mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(6)S(-)·H(2)O, the ion pairs and water mol-ecules are connected by N-H?O, O-H?O and C-H?O hydrogen bonds, thereby forming a three-dimensional network. There is an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, which generates an S(6) ring motif.

| S-EPMC3247506 | biostudies-literature

4-Hy-droxy-pyridinium-3-sulfonate.

Project description:The reaction of 4-hy-droxy-pyridine and oleum produces 4-hy-droxy-pyridinium-3-sulfonate, C(5)H(5)NO(4)S, which shows delocalized bonds in the six-membered ring. In the crystal, adjacent zwitterions are linked by N-H?O and O-H?O hydrogen bonds into a layer motif. The crystal studied was a racemic twin.

| S-EPMC3050178 | 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-other

2-Hy-droxy-pyridinium p-toluene-sulfonate.

Project description:In the title molecular salt, C(5)H(6)NO(+)·C(7)H(7)O(3)S(-), the cations and anions are connected by N-H?O and O-H?O hydrogen bonds, forming [100] chains.

| S-EPMC3379266 | biostudies-literature

4-Amino-pyridinium 4-amino-benzene-sulfonate 4-ammonio-benzene-sulfonate monohydrate.

Project description:The asymmetric unit of the title compound, C(5)H(7)N(2) (+)·C(6)H(6)NO(3)S(-)·C(6)H(7)NO(3)S·H(2)O, contains one 4-ammonio-benzene-sulfonate zwitterion ((+)H(3)NC(6)H(4)SO(3) (-)), one 4-amino-benzene-sulfonate anion (H(2)NC(6)H(4)SO(3) (-)), one 4-amino-pyridinium cation and two half-mol-ecules of water, each lying on a twofold rotation axis. The various ions and molecules in the structure are linked through N-H⋯O, N-H⋯N and N-H⋯S hydrogen bonds and C-H-π inter-actions into a three-dimensional framework.

| S-EPMC2960977 | biostudies-literature

4-[(2-Hy-droxy-5-nitro-benzyl-idene)amino]-benzene-sulfonamide.

Project description:The title Schiff base compound, C(13)H(11)N(3)O(5)S, exists in an E configuration with respect to the C=N double bond. The benzene rings are almost coplanar, making a dihedral angle of 2.82?(6). The sulfonamide group is twisted away from the attached phenyl ring with an N-S-C-C torsion angle of 64.84?(11)°. An intra-molecular O-H?N hydrogen bond stabilizes the mol-ecule, generating an S(6) ring motif. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2983168 | biostudies-literature

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