4-硝基苯磺酸-1H-1,2,4-三唑鎓一水合物
1H-1,2,4-Triazol-4-ium 4-nitro-benzene-sulfonate monohydrate.
作者信息
Hemamalini Madhukar, Razak Ibrahim Abdul, Fun Hoong-Kun
机构信息
X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2655. doi: 10.1107/S1600536811036774. Epub 2011 Sep 17.
In the 4-nitro-benzene sulfonate anion of the title compound, C(2)H(4)N(3) (+)·C(6)H(4)NO(5)S(-)·H(2)O, the nitro group is slightly twisted from the plane of the benzene ring [dihedral angle = 2.8 (3)°]. In the crystal, the three components are linked via N-H⋯O, O-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. A short inter-molecular O⋯N contact of 2.872 (3) Å is also observed between the nitro and sulfonate groups.
在标题化合物C₂H₄N₃⁺·C₆H₄NO₅S⁻·H₂O的4-硝基苯磺酸根阴离子中，硝基与苯环平面略有扭曲[二面角 = 2.8 (3)°]。在晶体中，三种组分通过N-H⋯O、O-H⋯N、O-H⋯O和C-H⋯O氢键相连，形成平行于bc平面的二维网络。在硝基和磺酸根之间还观察到短的分子间O⋯N接触，距离为2.872 (3) Å。
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