5-{4'-[(5-苄基-2H-四唑-2-基)甲基]联苯-2-基}-1H-四唑一水合物
5-{4'-[(5-Benzyl-2H-tetra-zol-2-yl)meth-yl]biphenyl-2-yl}-1H-tetra-zole monohydrate.
作者信息
Meti Gangadhar Y, Jeyaseelan S, Kamble R R, Dorababu Atakuri, Devarajegowda H C
机构信息
Department of Studies in Chemistry, Karnataka University, Dharwad 580 003, Karnataka, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 17;69(Pt 5):o743-4. doi: 10.1107/S1600536813009963. Print 2013 May 1.
In the title compound, C22H18N8·H2O, the dihedral angle between the tetra-zole rings is 69.58 (1)° while the terminal phenyl ring makes dihedral angles of 26.98 (8) and 39.75 (8)° with the other benzene rings. The rings of the biphenyl unit subtend a dihedral angle of 55.23 (8)°. In the crystal, the solvent water mol-ecule is linked to the main mol-ecule via an N-H⋯O hydrogen bond. In addition, C-H⋯N and O-H⋯N hydrogen bonds link the components into chains along [010]. The crystal structure also features C-H⋯π and π-π inter-actions, with centroid-centroid distances of 3.6556 (9) and 3.826 (1) Å.
在标题化合物C₂₂H₁₈N₈·H₂O中，四唑环之间的二面角为69.58 (1)°，而末端苯环与其他苯环的二面角分别为26.98 (8)°和39.75 (8)°。联苯单元的环之间的二面角为55.23 (8)°。在晶体中，溶剂水分子通过N—H⋯O氢键与主分子相连。此外，C—H⋯N和O—H⋯N氢键将各组分沿[010]方向连接成链。晶体结构还具有C—H⋯π和π—π相互作用，质心间距分别为3.6556 (9) Å和3.826 (1) Å。
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