2-(1H-Tetra­zol-5-yl)benzonitrile

نویسندگان

  • Zheng Xing
  • Guang-Fan Han
  • Wei-Feng Zhu
  • Yu-Yuan Zhao
چکیده

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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منابع مشابه

4-[(2H-Tetra­zol-2-yl)meth­yl]benzonitrile

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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Crystal structures of the three closely related compounds: bis­[(1H-tetra­zol-5-yl)meth­yl]nitramide, tri­amino­guanidinium 5-({[(1H-tetra­zol-5-yl)meth­yl](nitro)­amino}­meth­yl)tetra­zol-1-ide, and di­ammonium bis­[(tetra­zol-1-id-5-yl)meth­yl]nitramide monohydrate

In the mol-ecule of neutral bis-[(1H-tetra-zol-5-yl)meth-yl]nitramide, (I), C4H6N10O2, there are two intra-molecular N-H⋯O hydrogen bonds. In the crystal, N-H⋯N hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (-201) and weak C-H⋯O, C-H⋯N hydrogen bonds, and inter-molecular π-π stacking completes the three-dimensional network. The anion in the molecular salt, tri-am...

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1,3-Bis[5-(2-pyrid­yl)-1H-tetra­zol-1-yl]propane

The title compound, C(15)H(14)N(10), is a multidentate ligand obtained by the reaction of 5-(2-pyrid-yl)tetra-zole with 1,3-dibromo-propane. The mol-ecule consists of two 5-(2-pyrid-yl)-1H-tetra-zol-1-yl units connected by a propyl-ene bridge in a U-like conformation. A twofold rotation axis passes through the central C atom.

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Bis[(diamino­methyl­idene)aza­nium] 5-(1-oxido-1H-1,2,3,4-tetra­zol-5-yl)-1H-1,2,3,4-tetra­zol-1-olate

The anion of the title salt, 2[C(NH(2))(3)](+)·C(2)N(8)O(2) (2-), lies on a center of inversion and its two five-membered rings are coplanar. The guanidinium cation forms N-H⋯O and N-H⋯N hydrogen bonds to the anion, generating an eight-membered ring. Other hydrogen bonds lead to the formation of a three-dimensional network.

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2-[(2H-Tetra­zol-2-yl)meth­yl]benzonitrile

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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عنوان ژورنال:

دوره 64  شماره 

صفحات  -

تاریخ انتشار 2008