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2,6-Diamino-4-oxo-3,4-dihydropyrim-idin-1-ium chloride dihydrate.

ABSTRACT: In the crystal structure of the title compound, C(4)H(7)N(4)O(+)·Cl(-)·2H(2)O, adjacent cations are connected to one another through N-H⋯O hydrogen bonds, forming infinite chains along the b axis. These chains are further hydrogen bonded to the chloride anions and water mol-ecules, resulting in a three-dimensional network. The pyrimidine rings of adjacent mol-ecules are arranged in an anti-parallel manner above each other with centroid-centroid distances of 3.435 (1) Å, indicative of π-π inter-actions.

SUBMITTER: Suleiman Gwaram N

PROVIDER: S-EPMC3007964 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(2,6-diamino-pyridin-1-ium) hexa-aqua-cobalt(II) disulfate dihydrate.

Project description:In the title compound, (C(5)H(8)N(3))(2)[Co(H(2)O)(6)](SO(4))(2)·2H(2)O, the complete complex cation is generated by crystallographic inversion symmetry, such that the Co(II) cation is octa-hedrally coordinated by six water mol-ecules. The organic cation is essentially planar, with a maximum deviation of 0.013?(1)?Å. In the crystal structure, the ions and mol-ecules are linked into a pseudo-layered three-dimensional supra-molecular network via O-H?O and N-H?O hydrogen bonds. Weak inter-molecular ?-? inter-actions further stabilize the crystal structure [centroid-centroid distance = 3.5231?(4)?Å].

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Bis(2,6-diamino-4-chloro-pyrimidin-1-ium) fumarate.

Project description:In the title salt, 2C4H6ClN4(+)·C4H2O4(2-), the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxyl-ate group is twisted slightly away from the attached plane, the dihedral angle between the carboxyl-ate and (E)-but-2-ene planes being 12.78 (13)°. 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 R2(2)(8) ring motif. In addition, another type of R2(2)(8) motif is formed by centrosymmetrically related pyrimidinium cations via N-H⋯N hydrogen bonds. These two combined motifs form a heterotetra-mer. The crystal structure is further stabilized by stong N-H⋯O, N-H⋯Cl and weak C-H⋯O hydrogen bonds, resulting a three-dimensional network.

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3,5-Dicarb-oxy-2,6-dimethyl-pyridinium chloride dihydrate.

Project description:In the title compound, C(9)H(10)NO(4) (+)·Cl(-)·2H(2)O, both the cation and the anion have crystallographic twofold rotation symmetry; in the former, one N and one C atom lie on the rotation axis. In the crystal structure, the ions and water mol-ecules are linked via O-H?O, O-H?Cl and N-H?Cl hydrogen bonds into layers parallel to (101).

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5,6-Dihydr-oxy-1,10-phenanthrolin-1-ium chloride dihydrate.

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2,6-Diamino-pyridinium bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)ferrate(III) dihydrate.

Project description:The reaction of iron(II) sulfate hepta-hydrate with the proton-transfer compound (pydaH)(hypydcH) (pyda = pyridine-2,6-diamine; hypydcH(2) = 4-hydroxy-pyridine-2,6-dicarboxylic acid) in an aqueous solution led to the formation of the title compound, (C(5)H(8)N(3))[Fe(C(7)H(3)NO(5))(2)]·2H(2)O. The anion is a six-coordinated complex with a distorted octa-hedral geometry around the Fe(III) atom. Extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds, involving the complex anion, (pydaH)(+) counter-ion and two uncoordinated water mol-ecules, and ?-? [centroid-to-centroid distance 3.323?(11)?Å] and C-O?? [O-centroid distance 3.150?(15)?Å] inter-actions connect the various components into a supra-molecular structure.

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2,6-Diamino-pyridinium bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)chromate(III) dihydrate.

Project description:The reaction of chromium(III) nitrate hexa-hydrate, pyridine-2,6-diamine and 4-hydroxy-pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C(5)H(8)N(3))[Cr(C(7)H(3)NO(5))(2)]·2H(2)O or (pydaH)[Cr(hypydc)(2)]·2H(2)O (where pyda is pyridine-2,6-diamine and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid). Each Cr(III )atom is hexa-coordinated by four O and two N atoms from two (hypydc)(2-) fragments, which act as tridentate ligands, in a distorted octa-hedral geometry. The O-Cr-O-C torsion angles between the two planes of the (hypydc)(2-) fragments [-99.81?(17) and 97.77?(17)°] indicate that these two units are almost perpendicular to one another. In the crystal structure, extensive O-H?O, N-H?O and C-H?O hydrogen bonds with D?A distances ranging from 2.560?(2) to 3.279?(3)?Å, ion pairing, C-O?? [O?? = 3.166?(2)?Å] and ?-? stacking inter-actions between (hypydc)(2-) and (pydaH)(+) rings [with a centroid-centroid distance of 3.3353?(14)?Å] contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2960621 | biostudies-literature

8-Hy-droxy-5,7-dimethyl-quinolin-1-ium chloride dihydrate.

Project description:In the title hydrated salt, C11H12NO(+)·Cl(-)·2H2O, the quinoline ring system is essentially planar, with a maximum deviation of 0.005?(1)?Å for all non-H atoms. In the crystal, the three components are linked by O-H?O, N-H?O, O-H?Cl and weak C-H?O hydrogen bonds, forming a layer structure parallel to the ac plane. The crystal structure is further stabilized by ?-? stacking inter-actions, with centroid-centroid distances of 3.5213?(6) and 3.7176?(6)?Å.

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Bis-(3,5-diamino-4H-1,2,4-triazol-1-ium) 3,4-dioxocyclo-butane-1,2-diolate.

Project description:The asymmetric unit of the title compound, 2C2H6N5(+)·C4O4(2-), contains two 3,5-diamino-4H-1,2,4-triazolium cations and one squarate dianion. The squaric acid mol-ecule donated one H atom to each of the two 3,5-diamino-1,2,4-triazole mol-ecules at their N atoms. The squaric acid dianion has four C-O bonds which are shorter than a normal single C-O bond (1.426?Å) and are slightly longer than a normal C=O bond (1.23?Å), which indicates the degree of electron delocalization in the dianion. In the crystal, the cations and dianions are linked by N-H?N and N-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC3588514 | biostudies-literature

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.

| S-EPMC2971263 | biostudies-literature

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium chloride.

Project description:In the title compound, C(4)H(8)N(5) (+)·Cl(-), a two-dimensional layer packing network is observed in which every chloride anion links three adjacent 2,4-diamino-6-methyl-1,3,5-triazin-1-ium cations by N-H?Cl hydrogen-bonding inter-actions, forming 12-membered and eight-membered hydrogen-bonded rings with graph-set motifs R(4) (4)(12) and R(3) (3)(8), respectively. In addition, N-H?N hydrogen bonds are found between adjacent cations, forming another type of eight-membered [R(2) (2)(8)] hydrogen-bonded ring.

| S-EPMC2984090 | biostudies-other

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