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2-(Ammonio-meth-yl)pyridinium sulfate monohydrate.

ABSTRACT: In the crystal of the title hydrated molecular salt, C(6)H(10)N(2) (2+)·SO(4) (2-)·H(2)O, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ab plane. C-H⋯O hydrogen bonds are observed both within these layers and between mol-ecules and ions in adjacent layers.

SUBMITTER: Schutte M

PROVIDER: S-EPMC3297955 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(Ammonio-meth-yl)pyridinium dibromide.

Project description:In the title salt, C(6)H(10)N(2) (2+)·2Br(-), the non-H atoms of the 3-methyl-pyridinium unit of the cation are almost coplanar (r.m.s. deviation = 0.0052?Å). In the crystal, the dications and Br anions are linked by a combination of six hydrogen bonds, viz. one N(py)-H?Br, two C-H?Br and three H(2)N-H?Br, into supra-molecular layers, parallel to the bc plane, composed of alternating R(2) (4)(10) and R(2) (4)(8) loops. Weak ?-? inter-actions between cationic rings with centroid-centroid distances of 3.891?(2)?Å are also observed.

| S-EPMC3515173 | biostudies-literature

4-(Ammonio-meth-yl)pyridinium dichloride.

Project description:The title compound, C(6)H(10)N(2) (2+)·2Cl(-), contains a network of 4-(ammonio-meth-yl)pyridinium cations and chloride anions which are inter-connected by N-H⋯Cl hydrogen bonds. The crystal packing is also influenced by inter-molecular π-π stacking inter-actions between identical anti-parallel organic cations with a face-to-face distance of ca 3.52 Å.

| S-EPMC2959502 | biostudies-literature

Redetermination of 3-(ammonio-meth-yl)pyridinium dichloride.

Project description:The crystal structure of the title compound, C(6)H(10)N(2) (2+)·2Cl(-), has been reported previously in the non-standard setting P2(1)/a [Genet (1965 ?). Bull. Soc. Fr. Miner. Crist.88, 463-470], with an R value of 0.16. The current redetermination improves significantly the precision of the geometric parameters. In the crystal packing, cations and anions are linked by inter-molecular N-H?Cl and C-H?Cl hydrogen bonds into a three-dimensional network.

| S-EPMC2977397 | biostudies-literature

3-Ammonio-pyridinium tetra-bromido-mercurate(II) monohydrate.

Project description:The asymmetric unit of the title compound, (C(5)H(8)N(2))[HgBr(4)]·H(2)O, consists of one cation, one anion and one water mol-ecule. The anion exhibits a distorted tetra-hedral arrangement about the Hg atom. The crystal structure contains alternating sheets of cations (in the ac plane) and stacks of anions. Several strong hydrogen-bonding inter-actions (pyN-H?Br and C-H?Br; py is pyridine), along with O-H?Br inter-actions, connect the sheets of cations to the stacks of anions. Cation-cation ?-? stacking is also present (C?C distances in the range 3.424-3.865?Å). The shortest Br?Br distance is 3.9527?(9)?Å.

| S-EPMC2961581 | biostudies-literature

2-Amino-3-(hy-droxy-meth-yl)pyridinium 2-benzoyl-benzoate monohydrate.

Project description:In the title hydrated salt, C(6)H(9)N(2)O(+)·C(14)H(9)O(3) (-)·H(2)O, the dihedral angle between the benzene rings of the 2-benzoyl-benzoate anion is 82.04?(14)°, while the angles between the aromatic ring of the pyridinium cation and each of the benzene rings of the anion are 4.42?(14) and 82.04?(14)°. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, generating a three-dimensional network with R(2) (2)(8), R(6) (6)(16) and R(4) (4)(6) motifs. The crystal packing is further stabilized by two ?-? inter-actions, one between pyridinium rings, and another between the benzene benzoate and pyridinium rings of neighbouring mol-ecules, with centroid-to-centroid distances of 3.559?(2) and 3.606?(2)?Å, respectively.

| S-EPMC3295483 | biostudies-literature

Tris(4-hydroxy-pyridinium) hydrogen sulfate-sulfate monohydrate.

Project description:In the crystal structure of the title salt, 3C(5)H(6)NO(+)·HSO(4) (-)·SO(4) (2-)·H(2)O, the hydrogen sulfate ion is linked to the sulfate ion by an O-H?O hydrogen bond. The hydrogen sulfate-sulfate anion is a hydrogen-bond acceptor for the three independent cations and the uncoordinated water mol-ecule, the hydrogen-bonding inter-actions giving rise to a three-dimensional hydrogen-bonded network. In the hydrogen sulfate-sulfate species, one of the sulfate groups is disordered in respect of its O atoms in a 2:1 ratio.

| S-EPMC2972122 | biostudies-literature

Bis(4-amino-pyridinium) sulfate monohydrate.

Project description:The asymmetric unit of the title compound, 2C(5)H(7)N(2) (+)·SO(4) (2-)·H(2)O, contains two 4-amino-pyridinium cations (A and B), a sulfate dianion and a water mol-ecule. One of the 4-amino-pyridinium cations (B) is disordered over two orientations with refined site occupancies of 0.568 (4) and 0.432 (4). The non-H atoms of the 4-amino-pyridinium cations are essentially coplanar, with a maximum deviation of 0.055 (1) Å (in cation A), 0.022 (3) Å (for the major component in cation B) and 0.009 (3) Å (for the minor component in cation B). In the crystal, the sulfate O atoms link the 4-amino-pyridinium cations and water mol-ecules into a three-dimensional network via inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. The crystal structure is further consolidated by N-H⋯O(water) and C-H⋯O(water) hydrogen bonds.

| S-EPMC3007857 | 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

Bis(4-hydroxy-pyridinium) sulfate monohydrate.

Project description:In the crystal structure of the title salt, 2C(5)H(6)NO(+)·SO(4) (2-)·H(2)O, one planar (r.m.s. deviation = 0.01?Å) cation is stacked approximately over the other [dihedral angle between planes = 8.6?(1)°]. The pyridinium and hydr-oxy H atoms are hydrogen-bond donor atoms to the O atoms of the sulfate anion; the cations, anions and water mol-ecules are consolidated into a three-dimensional network through O-H?O and N-H?O hydrogen bonds.

| S-EPMC2971874 | biostudies-other

2-Amino-3-methyl-pyridinium 2-amino-5-methyl-pyridinium sulfate monohydrate.

Project description:The asymmetric unit of the title compound, 2C(6)H(9)N(2) (+)·SO(4) (2-)·H(2)O, contains two isomeric protonated amino-methyl-pyridine cations, a sulfate anion and a solvent water mol-ecule. The cations are in the iminium tautomeric form. In the crystal structure, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds link the components into a three-dimensional network. Additional stabilization is provided by weak ?-? stacking inter-actions, with centroid-centroid distances of 3.758?(2) and 3.774?(1)?Å.

| S-EPMC2972034 | biostudies-literature

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