7-苯磺酰胺基-3-甲基-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸一水合物
7-Benzenesulfonamido-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid monohydrate.
作者信息
Sharif Shahzad, Akkurt Mehmet, Khan Islam Ullah, Salariya Manan Ayub, Ahmad Sarfraz
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 9;66(Pt 1):o73-4. doi: 10.1107/S1600536809051769.
Abstract
In the title compound, C(14)H(14)N(2)O(5)S(2)·H(2)O, the six-membered ring fused to the β-lactam unit has a twisted conformation. Weak intra-molecular N-H⋯S and C-H⋯O inter-actions occur. Inter-molecular C-H⋯S, N-H⋯O, C-H⋯O and O-H⋯O hydrogen-bonding inter-actions stabilize the crystal structure, forming a three-dimensional network. Weak C-H⋯π inter-actions are also present.
摘要
在标题化合物C₁₄H₁₄N₂O₅S₂·H₂O中，与β-内酰胺单元稠合的六元环具有扭曲构象。存在弱的分子内N-H⋯S和C-H⋯O相互作用。分子间的C-H⋯S、N-H⋯O、C-H⋯O和O-H⋯O氢键相互作用稳定了晶体结构，形成三维网络。还存在弱的C-H⋯π相互作用。
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