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Hexaaqua-magnesium dibromide 5-(pyridinium-3-yl)tetra-zol-1-ide.

ABSTRACT: In the title compound, [Mg(H(2)O)(6)]Br(2)·2C(6)H(5)N(5), the Mg(II) atom, lying on an inversion center, is coordinated by six water mol-ecules in a distorted octa-hedral geometry. The pyridine and tetra-zole rings in the 5-(pyridinium-3-yl)tetra-zol-1-ide zwitterion are nearly coplanar, twisted from each other by a dihedral angle of 5.70?(1)°. The zwitterions, Br anions and complex cations are connected by O-H?Br, O-H?N and N-H?Br hydrogen bonds, leading to the formation of a three-dimensional network.

SUBMITTER: Dai J

PROVIDER: S-EPMC3050346 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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Hexaaqua-magnesium dibromide 5-(pyridinium-3-yl)tetra-zol-1-ide.

Dai Jing J Chen Xin-Yuan XY

Acta crystallographica. Section E, Structure reports online 20101224 Pt 1

In the title compound, [Mg(H(2)O)(6)]Br(2)·2C(6)H(5)N(5), the Mg(II) atom, lying on an inversion center, is coordinated by six water mol-ecules in a distorted octa-hedral geometry. The pyridine and tetra-zole rings in the 5-(pyridinium-3-yl)tetra-zol-1-ide zwitterion are nearly coplanar, twisted from each other by a dihedral angle of 5.70 (1)°. The zwitterions, Br anions and complex cations are connected by O-H⋯Br, O-H⋯N and N-H⋯Br hydrogen bonds, leading to the formation of a three-dimensional ...[more]

PMID: 21522526

Similar Datasets

5-(Pyridinium-3-yl)tetra-zol-1-ide hexa-aqua-magnesium dichloride.

Project description:In the title compound, (C(6)H(5)N(5))(2)[Mg(H(2)O)(6)]Cl(2), the asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetra-zol-1-ide mol-ecule, one half of an [Mg(H(2)O)(6)](2+) cation ( symmetry) and one chloride ion. The Mg(II) ion is surrounded by six water mol-ecules, with their O atoms located at the apices, exhibiting a slightly distorted octa-hedral coordination. Mg-O bond lengths range from 2.0526 (14) to 2.0965 (16) Å [mean value = 2.068 Å]. The pyridine and tetra-zole rings are nearly coplanar and only twisted from each other by a dihedral angle of 5.68 (1)°. The zwitterionic organic mol-ecules, anions and cations are connected by O-H⋯Cl, O-H⋯N and N-H⋯Cl hydrogen bonds, leading to the formation of a three-dimensional network.

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Hexaaqua-magnesium 5-[1-(carboxyl-ato-meth-yl)pyridin-1-ium-4-yl]tetra-zol-2-ide chloride dihydrate.

Project description:In the title compound, [Mg(H(2)O)(6)](C(8)H(6)N(5)O(2))Cl·2H(2)O, the Mg(II) ion is surrounded by six water mol-ecules, exhibiting a slightly distorted octa-hedral coordination. The pyridine and tetra-zole rings are nearly coplanar, forming a dihedral angle of 4.63?(3)°. The complex cations, zwitterionic organic anions, Cl(-) anions and uncoordinated water mol-ecules are connected by O-H?O, O-H?N and O-H?Cl hydrogen bonds, leading to the formation of a three-dimensional network.

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Project description:In the title compound, C(8)H(7)N(5)O(2), the tetra-zole and pyridine rings are twisted from each other by a dihedral angle of 17.97?(1)°. The zwitterionic mol-ecules are connected by O-H?N hydrogen bonds into a chain parallel to [20]. Further C-H?O and C-H?N hydrogen bonds link the chains, building up a three-dimensional network.

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Project description:The asymmetric unit of the title compound, [Mg(H(2)O)(6)](C(9)H(7)N(4)O(2)S)(2), contains one-half of a [Mg(H(2)O)(6)](2+) cation ( symmetry) and one uncoordinated 2-[(1-phenyl-1H-tetra-zol-5-yl)sulfan-yl]acetate anion. The Mg(II) cation is coordinated by six water mol-ecules, exhibiting a slightly distorted octa-hedral coordination. A two-dimensional network parallel to (001) is formed via extensive hydrogen-bonding inter-actions involving the water mol-ecules as donors and the tetra-zole N and carboxyl-ate O atoms of the anion as acceptors. The shortest distance between two adjacent parallel benzene rings is 3.315?(2)?Å. The dihedral angle between the benzene ring and the tetra-zole ring is 40.98?(2)°.

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Project description:In the title zwitterionic mol-ecule, C(6)H(5)N(5), the tetra-zole and pyridine rings are nearly coplanar, making a dihedral angle of 2.08?(1)°. In the crystal, mol-ecules are connected by classical N-H?N and weak C-H?N hydrogen bonds.

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Hexa-aqua-zinc(II) dinitrate bis-[5-(pyridinium-3-yl)tetra-zol-1-ide].

Project description:Hexa-aqua-zinc(II) dinitrate 5-(pyridinium-3-yl)tetra-zol-1-ide, [Zn(H2O)6](NO3)2·2C6H5N5, crystallizes in the space group P . The asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetra-zol-1-ide mol-ecule, one NO3- anion and one half of a [Zn(H2O)6]2+ cation ( symmetry). The pyridinium and tetra-zolide rings in the zwitterion are nearly coplanar, with a dihedral angle of 5.4 (2)°. Several O-H⋯N and N-H⋯O hydrogen-bonding inter-actions exist between the [Zn(H2O)6]2+ cation and the N atoms of the tetra-zolide ring, and between the nitrate anions and the N-H groups of the pyridinium ring, respectively, giving rise to a three-dimensional network. The 5-(pyridinium-3-yl)tetra-zol-1-ide mol-ecules show parallel-displaced π-π stacking inter-actions; the centroid-centroid distance between adjacent tetra-zolide rings is 3.6298 (6) Å and that between the pyridinium and tetra-zolide rings is 3.6120 (5) Å.

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3-(1H-Tetra-zol-5-yl)pyridinium 3-(2H-tetra-zol-5-yl)pyridinium dinitrate.

Project description:In the title compound, C(6)H(6)N(5) (+)·NO(3) (-), there are two different isomers of the cation within the asymmetric unit. The dihedral angles between the the pyridinium and tetra-zole rings are 2.54?(15) and 13.36?(18)° in the two cations. In the crystal, the packing of ions is stabilized by N-H?O and N-H?(O,O) hydrogen bonds, forming clusters composed of four ion pairs.

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Hexaaqua-magnesium(II) bis-{5-[3-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Mg(H(2)O)(6)](C(8)H(5)N(8))(2)·4H(2)O, contains one half of the centrosymmetric dication, one anion and two water mol-ecules. The Mg(II) ion is coordinated by six water mol-ecules in a slightly distorted octa-hedral geometry. In the anion, the two five-membered heterocycles are twisted from the central benzene ring by 4.34?(11) and 3.20?(10)°. In the crystal, O-H?N, O-H?O and N-H?O hydrogen bonds generate a three-dimensional network.

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4-(1H-Tetra-zol-5-yl)pyridinium bromide.

Project description:In the cation of the title compound, C(6)H(6)N(5) (+)·Br(-), the pyridine and tetra-zole rings are nearly coplanar, forming a dihedral angle of 6.41?(2)°. The organic cations inter-act with the Br(-) anions by N-H?Br hydrogen bonds, leading to the formation of chains parallel to the b axis.

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4-(1H-Tetra-zol-5-yl)pyridinium chloride.

Project description:In the cation of the title compound, C(6)H(6)N(5) (+)·Cl(-), the tetra-zole and pyridine rings are nearly coplanar, making a dihedral angle of 5.58?(11)°. The organic cations are linked to the chloride anions via N-H?Cl hydrogen bonds, forming chains along [110].

| S-EPMC3011446 | biostudies-literature

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