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4-(2H-Tetra-zol-5-yl)pyridinium perchlorate.

ABSTRACT: In the cation of the title compound, C(6)H(6)N(5) (+)·ClO(4) (-), the pyridinium and tetra-zole rings form a dihedral angle of 23.6?(1)°. In the crystal structure, weak inter-molecular N-H?O and N-H?N hydrogen bonds link cations and anions into chains extending along the b axis.

SUBMITTER: Dai J

PROVIDER: S-EPMC2969801 | BioStudies | 2009-01-01T00:00:00Z

REPOSITORIES: biostudies

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2-(2H-Tetra-zol-5-yl)pyridinium perchlorate monohydrate.

Project description:In the cation of the title compound, C(6)H(6)N(5) (+)·ClO(4) (-)·H(2)O, the pyridinium and tetra-zole rings are essentially coplanar, making a dihedral angle of 1.2?(2)°. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the cations, anions and water mol-ecules into a ribbon-like structure along the c axis. Adjacent ribbons are linked via ?-? stacking inter-actions between the tetra-zole rings, with a centroid-centroid distance of 3.484?(2)?Å.

2009-01-01 | S-EPMC2980014 | BioStudies

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.

2009-01-01 | S-EPMC2969333 | BioStudies

2-(2H-Tetra-zol-5-yl)pyridinium nitrate.

Project description:In the cation of the title compound, C(6)H(6)N(5) (+)·NO(3) (-), the dihedral angle between the pyridinium and tetra-zole rings is 8.2?(2)°. The constituent ions of the compound are linked via N-H?O hydrogen bonds, forming helical chains running along the b axis. C-H?N and C-H?O hydrogen bonds are also observed.

1000-01-01 | S-EPMC2969575 | BioStudies

2-(2H-Tetra-zol-5-yl)pyridinium chloride.

Project description:In the title compound, C(6)H(6)N(5) (+)·Cl(-), the pyridinium and tetra-zole rings are essentially coplanar. The pyridine N atoms are protonated. In the crystal structure, mol-ecules are connected via N-H?Cl, C-H?Cl, C-H?N and N-H?N hydrogen bonds into layers that are parallel to the (001) plane. There are two crystallographically independent mol-ecules in the asymmetric unit which are located on mirror planes.

1000-01-01 | S-EPMC2959608 | BioStudies

3-(1H-Tetra-zol-5-yl)pyridinium chloride.

Project description:In the cation of the title compound, C(6)H(6)N(5) (+)·Cl(-), the pyridinium and tetra-zole rings are nearly coplanar, making a dihedral angle of 5.05?(12)°. The cations and anions are connected by inter-molecular N-H?Cl hydrogen bonds, forming a centrosymmetric [2 + 2] aggregate. The aggregates are stacked along the a axis.

1000-01-01 | S-EPMC2969833 | BioStudies

trans-Diaqua-bis{1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane}zinc(II) bis-(perchlorate).

Project description:The Zn(II) ion in the title compound, [Zn(C(15)H(14)N(10))(H(2)O)(2)](ClO(4))(2), lies on a centre of symmetry. The distorted N(4)O(2) octa-hedral coordination environment around the Zn atom is composed of two 1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane ligands (L1) and two water mol-ecules, coordinated in trans positions. The ligand acts as a typical bidentate chelating ligand through one of its 2-pyridyl-2H-tetra-zole units, forming a five-membered Zn-N-C-C-N metallacycle with a small N-Zn-N bite angle [77.40?(8)°]. The other 2-pyridyl-2H-tetra-zole unit remains uncoordinated. The average Zn-N distance (2.156?Å) is somewhat longer than the distance between the Zn(II) center and the aqua ligand [2.108?(2)?Å]. The coordinated pyrid-yl-tetra-zoyl rings are quasi-coplanar, making a dihedral angle of 1.9?(2)°, while the uncoordinated rings show a larger inter-planar angle of 21.3?(2)°. The flexible propane spacer displays a zigzag chain. Inter-molecular O-H?N and O-H?O inter-actions result in two-dimensional polymeric structures parallel to (100). Two C atoms of the spacer are disordered over two positions, with site occupancy factors of ca 0.85 and 0.15.

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4-(2H-Tetra-zol-5-yl)pyridinium hydrogen sulfate.

Project description:In the cation of the title compound, C(6)H(6)N(5) (+)·HSO(4) (-), the pyridine and tetra-zole rings are close to being co-planar [dihedral angle = 3.98?(7)°]. In the crystal, the ions are linked by O-H?O, N-H?O and N-H?(O,O) hydrogen bonds, resulting in chains.

2009-01-01 | S-EPMC2970296 | BioStudies

3-(2H-Tetra-zol-5-yl)pyridinium trifluoro-acetate.

Project description:In the cation of the title compound, C(6)H(6)N(5) (+)·CF(3)COO(-), the pyridine and tetra-zole rings are nearly coplanar, making a dihedral angle of 2.49?(19)°. In the crystal, the cations and anions are connected by inter-molecular N-H?O and N-H?(F,O) hydrogen bonds, forming centrosymmetric [2 + 2] aggregates, which stack along the a axis.

2009-01-01 | S-EPMC2970170 | BioStudies

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

Project description: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.

2010-01-01 | S-EPMC3050346 | BioStudies

Poly[[bis-{?(3)-tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine}copper(II)] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C(9)H(15)N(13))(2)](ClO(4))(2)}(n), the Cu(2+) cation lies on an inversion center and is coordinated by the tetra-zole N(4) atoms of six symmetry-equivalent tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine ligands (t(3)z) in the form of a Jahn-Teller-distorted octa-hedron with Cu-N bond distances of 2.0210?(8), 2.0259?(8) and 2.4098?(8)?Å. The tertiary amine N atom is stereochemically inactive. The cationic part of the structure, viz. [Cu(t(3)z)(2)](2+), forms an infinite two-dimensional network parallel to (100), in pockets of which the perchlorate anions reside. The individual networks are partially inter-locked and held together by C-H?O inter-actions to the perchlorate anions and C-H?N inter-actions to tetra-zole N atoms.

1000-01-01 | S-EPMC2983878 | BioStudies

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