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Bis[4-(2-isopropyl-2H-tetra-zol-5-yl)phen-yl]dimethyl-silane.

ABSTRACT: The title compound, C(22)H(28)N(8)Si, has crystallographic 2 symmetry with the Si atom located on a twofold rotation axis. The tetra-zole ring is oriented at a dihedral angle of 5.32?(18)° with respect to the benzene ring. A C-H?? inter-action occurs between adjacent mol-ecules in the crystal structure.

SUBMITTER: Wang P

PROVIDER: S-EPMC3051474 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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Bis[4-(2-isopropyl-2H-tetra-zol-5-yl)phen-yl]dimethyl-silane.

Wang Peng P Yue Zheng Z Zhang Jie J Feng Sheng-Yu SY

Acta crystallographica. Section E, Structure reports online 20110112 Pt 2

The title compound, C(22)H(28)N(8)Si, has crystallographic 2 symmetry with the Si atom located on a twofold rotation axis. The tetra-zole ring is oriented at a dihedral angle of 5.32 (18)° with respect to the benzene ring. A C-H⋯π inter-action occurs between adjacent mol-ecules in the crystal structure. ...[more]

PMID: 21523046

Similar Datasets

Crystal structure of 1,4-bis-[5-(2-meth-oxy-phen-yl)-2H-tetra-zol-2-yl]butane.

Project description:The title compound, C20H22N8O2, was synthesized by the coupling reaction of a sodium tetra-zolate salt and di-bromo-butane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P21/c space group and possesses a bridging butyl-ene group that connects two identical phenyl tetra-zole moieties. The butyl-ene group is attached not to the first but the second nitro-gen atoms of both tetra-zole rings. The dihedral angles between the phenyl groups and the adjacent tetra-zolyl rings are 5.32?(6) and 15.37?(7)°. In the crystal, the mol-ecules form centrosymmetric dimers through C-H?O hydrogen bonds between a C-H group of the butyl-ene linker and the O atom of a meth-oxy group.

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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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Ethane-1,2-diaminium bis-{5-[4-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} dihydrate.

Project description:In the two anions of the title salt, C(2)H(10)N(2) (2+)·2C(8)H(5)N(8) (-)·2H(2)O, the central aromatic rings make dihedral angles of 13.53 (6) and 6.53 (7)° with the deprotonated tetra-zole rings, and 11.39 (6) and 10.41 (9)° with the other tetra-zole groups. In the crystal, the cations, anions and water mol-ecules are linked by an extensive O-H⋯N, N-H⋯O and N-H⋯N hydrogen-bond network into two-dimensional wave-like duplex sheets extending parallel to the bc plane. π-π stacking inter-actions between benzene rings [inter-centroid distances are 3.8482 (4) and 3.9621 (5) Å] and between tetra-zole rings [inter-centroid distances are 3.4350 (4) and 3.7169 (4) Å] further consolidate the crystal structure.

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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.

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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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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.

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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.

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