1,3-苯并恶唑-2-羧酸甲酯的晶体结构
Crystal structure of methyl 1,3-benzoxazole-2-carboxyl-ate.
作者信息
Poirot Alexandre, Saffon-Merceron Nathalie, Leygue Nadine, Benoist Eric, Fery-Forgues Suzanne
机构信息
Université de Toulouse III Paul Sabatier, Laboratoire SPCMIB, UMR CNRS 5068, 118 route de Narbonne, F-31062 Toulouse, France.
Université de Toulouse III Paul Sabatier, Institut de Chimie de Toulouse, ICT-UAR 2599, 118, route de Narbonne, F-31062 Toulouse, France.
出版信息
Acta Crystallogr E Crystallogr Commun. 2021 Oct 8;77(Pt 11):1078-1081. doi: 10.1107/S2056989021010094. eCollection 2021 Nov 1.
The title compound, CHNO, crystallizes in the monoclinic (2) space group. In the crystal, the almost planar mol-ecules display a flattened herringbone arrangement. Stacking mol-ecules are slipped in the lengthwise and widthwise directions and are linked by π-π inter-actions [(⋯ = 3.6640 (11) Å]. The structure is characterized by strong C-H⋯N and weak C-H⋯O hydrogen bonds, and further stabilized by C-O⋯π inter-actions.
标题化合物CHNO以单斜晶系（2）空间群结晶。在晶体中，近乎平面的分子呈现出扁平的人字形排列。堆积分子在长度和宽度方向上有滑移，并通过π-π相互作用相连[（⋯ = 3.6640 (11) Å]。该结构的特征是存在强C-H⋯N和弱C-H⋯O氢键，并通过C-O⋯π相互作用进一步稳定。
Zotero 插件