1-[(2,2-二甲基-1,3-二氧戊环-4-基)甲基]-2-(噻唑-4-基)-1H-苯并咪唑的晶体结构
Crystal structure of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)meth-yl]-2-(thia-zol-4-yl)-1H-benzimidazole.
作者信息
Gueddar Hicham, Bouhfid Rachid, Essassi El Mokhtar, Saadi Mohamed, El Ammari Lahcen
机构信息
Moroccan Foundation for Advanced Science, Innovation and Research (MASCIR), Rabat, Morocco.
Moroccan Foundation for Advanced Science, Innovation and Research (MASCIR), Rabat, Morocco; Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V de Rabat, Morocco.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Nov 18;71(Pt 12):o951-2. doi: 10.1107/S205698901502085X. eCollection 2015 Dec 1.
The benzimidazole ring in the title compound, C16H17N3O2S, is almost planar, with the greatest deviation from the mean plane being 0.032 (1) Å. The fused-ring system makes dihedral angles of 19.91 (7) and 24.51 (8)° with the best plane through each of the thia-zol-4-yl and 1,3-dioxolan-4-yl rings, respectively; the latter exhibits an envelope conformation with the methyl-ene C atom being the flap. Finally, the thia-zol-4-yl ring makes a dihedral angle of 33.85 (9)° with the 1,3-dioxolan-4-yl ring. In the crystal, mol-ecules are connected by a pair of C-H⋯π(imidazole) inter-actions to form centrosymmetric aggregates.
标题化合物C₁₆H₁₇N₃O₂S中的苯并咪唑环几乎是平面的，与平均平面的最大偏差为0.032 (1) Å。稠环系统与分别穿过噻唑-4-基和1,3-二氧戊环-4-基环的最佳平面形成的二面角分别为19.91 (7)°和24.51 (8)°；后者呈现信封式构象，亚甲基C原子为翼片。最后，噻唑-4-基环与1,3-二氧戊环-4-基环形成的二面角为33.85 (9)°。在晶体中，分子通过一对C-H⋯π(咪唑)相互作用连接形成中心对称聚集体。
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