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2,6-Diamino-pyridinium dihydrogen phosphate.

ABSTRACT: In the crystal structure of the title compound, C(5)H(8)N(3) (+)·H(2)PO(4) (-), N-H?O hydrogen bonds, involving the unprotonated amino-group and the NH(+) group in the pyridinium ring and dihydrogenphosphate O atoms, link the cations and anions. A long chain-like stacking of dihydrogenphosphate anions along the c-axis direction is constructed by O-H?O hydrogen bonds. Also along the c-axis direction, ?-? stacking between inversion-related pyridinium rings [centroid-centroid distance = 3.8051?(10)?Å] forms columnar stacks of cations.

SUBMITTER: Yu G

PROVIDER: S-EPMC3435763 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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2,6-Diamino-pyridinium dihydrogen phosphate.

Yu Gang G

Acta crystallographica. Section E, Structure reports online 20120823 Pt 9

In the crystal structure of the title compound, C(5)H(8)N(3) (+)·H(2)PO(4) (-), N-H⋯O hydrogen bonds, involving the unprotonated amino-group and the NH(+) group in the pyridinium ring and dihydrogenphosphate O atoms, link the cations and anions. A long chain-like stacking of dihydrogenphosphate anions along the c-axis direction is constructed by O-H⋯O hydrogen bonds. Also along the c-axis direction, π-π stacking between inversion-related pyridinium rings [centroid-centroid distance = 3.8051 (10) ...[more]

PMID: 22969634

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Tetra-kis(2,6-diamino-pyridinium) diphthalate 2,6-diamino-pyridine.

Project description:In the title compound, 4C(5)H(8)N(3) (+)·2C(8)H(4)O(4) (2-)·C(5)H(7)N(3), the asymmetric unit consists of two protonated diamino-pyridine cations, one phthalate anion and one half of a diamino-pyridine mol-ecule, which has twofold rotation symmetry and is disordered over two positions with a site-occupancy ratio of 0.534?(3):0.466?(3). In the disordered structure, both pyridine rings are essentially planar, with maximum deviations of 0.011?(2) and 0.006?(2)?Å, and these two rings are inclined to one another at a dihedral angle of 79.86?(10)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the ions and mol-ecules into a three-dimensional network. The structure is further stabilized by C-H?? inter-actions.

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2,4,6-Trimethyl-pyridinium dihydrogen phosphate.

Project description:In the title compound, C(8)H(9)N(+)·H(2)PO(4) (-), both the cation and anion have crystallographically imposed mirror symmetry (all atoms apart from one O atom lie on the mirror plane). In the crystal, anions and cations are linked by O-H?O and ?-? stacking inter-actions [centroid-centroid distance = 3.4574?(6)?Å], forming chains parallel to the b axis. Adjacent chains are further connected by N-H?O hydrogen bonds into a two-dimensional network.

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2,4,6-Trimethyl-pyridinium dihydrogen phosphate.

Project description:The asymmetric unit of the title compound, C(8)H(12)N(+)·H(2)PO(4) (-), contains two H(2)PO(4) (-) anions and two 2,4,6-trimethyl-pyridinium cations. In the crystal, the anions are linked by O-H?O hydrogen bonds, forming supra-molecular chains running along the a axis; the cations are connected to the anion chains by N-H?O hydrogen bonds. Weak inter-molecular C-H?O hydrogen bonding is also present in the crystal structure.

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2,6-Diamino-pyridinium 2-carb-oxy-benzoate.

Project description:In the crystal of the title mol-ecular salt, C(5)H(8)N(3) (+)·C(8)H(5)O(4) (-), the diamino-pyridine cation and the phthalate anion are linked by a pair of N-H⋯O hydrogen bonds. Within the phthalate anion, an almost symmetrical O-H⋯O hydrogen bond is observed. The ion pairs are linked by further N-H⋯O hydrogen bonds, generating a two-dimensional network lying parallel to (10).

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Bis(2,6-diamino-pyridinium) hydrogen phthalate nitrate monohydrate.

Project description:The title hydrated salt, 2C(5)H(8)N(3) (+)·C(8)H(5)O(4) (-)·NO(3) (-)·H(2)O, was obtained fortuitously from the reaction between 2,6-diamino-pyridine, phthalic acid and Co(NO(3))(2)·6H(2)O at 343?K. The asymmetric unit consists of two crystallographically independent 2,6-diamino-pyridinium cations, a hydrogen phthalate anion, a nitrate ion and a water mol-ecule of crystallization which in the crystal structure are linked by inter-molecular O-H?O and N-H?O hydrogen bonds into a three-dimensional network. In the hydrogen phthalate anion, there is a very strong intra-molecular O-H?O hydrogen bond.

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Bis(2,6-diamino-pyridinium) bis-(hydrogen oxalate) monohydrate.

Project description:The asymmetric unit of the title compound, 2C(5)H(8)N(3) (+)·2C(2)HO(4) (-)·H(2)O, contains two crystallographically independent 2,6-diamino-pyridinium cations, a pair of hydrogen oxalate anions and a water mol-ecule. Both 2,6-diamino-pyridinium cations are planar, with maximum deviations of 0.011 (2) and 0.015 (1) Å, and are protonated at the pyridine N atoms. The hydrogen oxalate anions adopt twisted conformations and the dihedral angles between the planes of their carboxyl groups are 31.01 (11) and 63.48 (11)°. In the crystal, the cations, anions and water mol-ecules are linked via O-H⋯O and N-H⋯O hydrogen bonds, forming a three-dimensional network.

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Bis(2,6-diamino-pyridinium) bis-(pyridine-2,6-dicarboxyl-ato)zincate(II) monohydrate.

Project description:In the title hydrated mol-ecular salt, (C(5)H(8)N(3))(2)[Zn(C(7)H(3)NO(4))(2)]·H(2)O, the Zn(II) atom is coordinated by two O,N,O'-tridentate pyridine-2,6-dicarboxyl-ate dianions, generating a slightly distorted trans-ZnN(2)O(4) octa-hedral coordination geometry for the metal ion. In the crystal, a network of O-H?O, N-H?O and C-H?O hydrogen bonds involving the cations, anions and water mol-ecules results in a three-dimensional network.

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Bis(2,6-diamino-3,5-dibromo-pyridinium) hexa-bromidostannate(IV).

Project description:The asymmetric unit of the title compound, (C(5)H(6)Br(2)N(3))(2)[SnBr(6)], contains one cation and one half-anion in which the Sn atom is located on a crystallographic centre of inversion and is in a quasi-octa-hedral geometry. The crystal structure is assembled via hydrogen-bonding inter-actions of two kinds, N(pyridine/amine)-H⋯Br-Sn, along with C-Br⋯Br-Sn interactions [3.4925 (19) Å]. The cations are involved in π-π stacking, which adds an extra supra-molecularity as it presents a strong case of offset-face-to-face motifs [centroid-centroid distance = 3.577 (3) Å]. The inter-molecular hydrogen bonds, short Br⋯Br inter-actions and π-π stacking result in the formation of a three-dimensional supra-molecular architecture.

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Bis(2,6-diamino-pyridinium) tartrate monohydrate.

Project description:In the title compound, 2C(5)H(8)N(3) (+)·C(4)H(4)O(6) (2-)·H(2)O, the two cations are essentially planar [maximum deviations = 0.023?(1) and 0.026?(1)?Å]. In one of the cations, the protonated N atom and one of the amino group H atoms are hydrogen bonded to one of the carboxyl groups of the dianion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal structure, the tartrate anions and water mol-ecules are linked into chains along the c axis by inter-molecular O-H?O and C-H?O hydrogen bonds. The cations further link the anions and water mol-ecules into a three-dimensional extended structure by a network of N-H?O hydrogen bonds. The crystal structure is also stabilized by weak inter-molecular ?-? inter-actions [centroid-centroid distance = 3.6950?(6)?Å].

| S-EPMC2971208 | biostudies-other

Bis(2,6-diamino-pyridinium)-adipate-adipic acid-water (2/1/1/2).

Project description:The crystal structure of the title compound, 2C(5)H(8)N(3) (+)·C(6)H(8)O(4) (2-)·C(6)H(10)O(4)·2H(2)O, consists of amino-pyridinium cations, adipate dianions, adipic acid mol-ecules and disordered solvent water mol-ecules [occupancies 0.50 (4) and 0.50 (4)]. Both the adipate and adipic acid are located across inversion centres. Eight-membered hydrogen-bonded rings exist involving amino-pyridinium and adipate ions. Adipic acid mol-ecules and adipate anions are linked into zigzag supra-molecular chains by O-H⋯O hydrogen bonds.

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