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4-[5-(3-Pyrid-yl)-2H-tetra-zol-2-ylmeth-yl]benzonitrile.

ABSTRACT: In the title compound, C(14)H(10)N(6), the pyridine and tetra-zole rings are nearly coplanar and are twisted from each other by a dihedral angle of only 0.86?(9)°. The benzene ring makes a dihedral angle of 70.55?(6)° with the tetra-zole ring.

SUBMITTER: Hu B

PROVIDER: S-EPMC2961461 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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4-[5-(3-Pyrid-yl)-2H-tetra-zol-2-ylmeth-yl]benzonitrile.

Hu Bin B

Acta crystallographica. Section E, Structure reports online 20080503 Pt 6

In the title compound, C(14)H(10)N(6), the pyridine and tetra-zole rings are nearly coplanar and are twisted from each other by a dihedral angle of only 0.86 (9)°. The benzene ring makes a dihedral angle of 70.55 (6)° with the tetra-zole ring. ...[more]

PMID: 21202702

Similar Datasets

2-{4-[5-(3-Pyrid-yl)-2H-tetra-zol-2-ylmeth-yl]phen-yl}benzonitrile.

Project description:In the title compound, C(20)H(14)N(6), there are two mol-ecules with similar conformations in the asymmetric unit. The pyridine and tetra-zole rings are nearly coplanar; they are twisted from each other by dihedral angles of only 8.7 (2) and 7.4 (2)°. The nearer benzene ring makes dihedral angles of 69.9 (2) and 88.5 (2)° with the tetra-zole ring in the two mol-ecules.

| S-EPMC2962075 | biostudies-literature

4-[(2H-Tetra-zol-2-yl)meth-yl]benzonitrile.

Project description:The title compound, C(9)H(7)N(5), was synthesized by reaction of 4-(bromomethyl)benzonitrile and 2H-tetrazole in the presence of KOH. The relative orientation of the planar tetra-zole ring and the methyl-benzonitrile moiety is (-)-anti-clinal. The crystal packing is dominated by van der Waals inter-actions.

| S-EPMC2960265 | biostudies-literature

2-[(2H-Tetra-zol-2-yl)meth-yl]benzonitrile.

Project description:The title compound, C(9)H(7)N(5), is non-planar with a dihedral angle between the substituted benzene and tetra-zole rings of 71.13 (9)°. Molecules are connected in centrosymmetric dimers by weak C-H⋯N inter-actions [C⋯N is 3.548 (5) Å]; these are the only interactions of significance in the crystal structure.

| S-EPMC2915282 | biostudies-literature

2-(1H-Tetra-zol-5-yl)benzonitrile.

Project description:The title compound, C(8)H(5)N(5), was synthesized from phthalonitrile. The benzonitrile and tetra-zole rings are inclined at a dihedral angle of 37.14 (11)°. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the tetra-zole rings of adjacent mol-ecules, forming chains along the a axis.

| S-EPMC2961120 | biostudies-literature

1,3,5-Tris(2H-tetra-zol-5-ylmeth-oxy)-benzene.

Project description:The title compound, C(12)H(12)N(12)O(3), was obtained by the hydro-thermal reaction of 1,3,5-tricyano-methoxy-benzene and (CH(3))(3)SiN(3). The mol-ecule is almost planar, with an r.m.s. deviation of 0.0976 Å from the plane through all atoms in the mol-ecule. The three tetra-zole rings make dihedral angles of 13.09 (19), 2.01 (19) and 11.56 (18)° with one another and corresponding angles of 8.66 (17), 5.44 (16) and 3.51 (17)° with the central benzene ring. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds form well separated one-dimensional planar sheets.

| S-EPMC2915205 | biostudies-literature

Diaqua-bis{2-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]acetato-?N,N}zinc(II).

Project description:The title compound, [Zn(C(8)H(6)N(5)O(2))(2)(H(2)O)(2)], was synthesized by hydro-thermal reaction of ZnBr(2) with 2-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]acetic acid. The Zn(II) atom lies on an inversion center in a distorted octa-hedral environment with two planar trans-related N,N'-chelating 2-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]acetic acid ligands in the equatorial plane and two water mol-ecules in the axial positions. In the crystal, O-H?O hydrogen bonds generate an infinite three-dimensional network.

| S-EPMC2969273 | biostudies-literature

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.

| S-EPMC2969333 | biostudies-literature

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.

| S-EPMC2960969 | biostudies-literature

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.

| S-EPMC2969575 | biostudies-literature

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

Project description: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.

| S-EPMC2969801 | biostudies-literature

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