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

ABSTRACT: 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.

SUBMITTER: Xing Z

PROVIDER: S-EPMC2960265 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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

Xing Zheng Z Qu Zhi-Rong ZR

Acta crystallographica. Section E, Structure reports online 20080116 Pt 2

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. ...[more]

PMID: 21201472

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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.

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

Project description: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.

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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.

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Project description:The title heteropolyoxidotungstate-based inorganic-organic hybrid material, (C(6)H(12)N(5)O)(3)[W(12)(PO(4))O(36)]·6H(2)O, consists of one α-Keggin-type [W(12)(PO(4))O(36)](3-) polyoxidometalate anion (POM), three crystallographically independent 4-[(2H-tetra-zol-5-yl)meth-yl]morpholinium cations and six water mol-ecules of crystallization. The morpholine ring of the cation adopts a chair conformation. The anion shows characteristic features with respect to bond lengths and angles. An extensive network of N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen-bonding inter-actions between the organic cations, inorganic anion and the crystal water mol-ecules lead to a three-dimensional structure. Moreover, six uncoordinated water mol-ecules increase the number of hydrogen bonds in the network and lead to the formation of (H(2)O)(∞) clusters.

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5-{4'-[(5-Benzyl-2H-tetra-zol-2-yl)meth-yl]biphenyl-2-yl}-1H-tetra-zole monohydrate.

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Tetra-kis{4-[(2H-tetra-zol-5-yl)meth-yl]morpholin-4-ium} dodeca-tungstosilicate hexa-hydrate.

Project description:The crystal structure of the title compound, (C(6)H(12)N(5)O)(4)[W(12)(SiO(4))O(36)]·6H(2)O, consists of an α-Keggin-type [W(12)(SiO(4))O(36)](4-) polyoxidoanion, four [(2H-tetra-zol-5-yl)meth-yl]morpholinium cations and six uncoordinated water mol-ecules. In the cations, the morpholine rings display chair conformations. Extensive N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen bonds are present in the crystal structure.

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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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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.

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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.

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