10H-吩噻嗪5-氧化物
10H-Phenothia-zine 5-oxide.
作者信息
Jin Rui-Fang, Yu Kai, Yang Shi-Yao, Huang Rong-Bin
机构信息
Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 24;66(Pt 12):o3267. doi: 10.1107/S1600536810047914.
In the title compound, C(12)H(9)NOS, the sulfoxide O atom is disordered over two sites with occupancies of 0.907 (4) and 0.093 (4). The dihedral angle betweeen the two aromatic rings is 18.40 (14)°. Different types of supramolecular interactions including inter-molecular N-H⋯O hydrogen bonds and π-π contacts [centroid-centroid distances = 3.9096 (16) and 4.1423 (16) Å] between the aromatic rings of symmetry-related mol-ecules are observed in the crystal structure.
在标题化合物C₁₂H₉NOS中，亚砜O原子在两个位置上无序分布，占有率分别为0.907 (4)和0.093 (4)。两个芳环之间的二面角为18.40 (14)°。在晶体结构中观察到不同类型的超分子相互作用，包括分子间N - H⋯O氢键以及对称相关分子的芳环之间的π - π接触[质心 - 质心距离 = 3.9096 (16)和4.1423 (16) Å]。
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