Outahar Fatima, Moumou Mohamed, Rakib El Mostapha, Hannioui Abdellah, Saadi Mohamed, El Ammari Lahcen
Laboratory of Organic and Analytical Chemistry, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, Béni-Mellal, Morocco.
Laboratoire de Chimie Physique et Chimie Biorganique, Faculté des Sciences et Techniques, Université Hassan II, Casablanca, BP 146 Mohammedia, Morocco.
IUCrdata. 2020 Jul 21;5(Pt 7):x200945. doi: 10.1107/S2414314620009451. eCollection 2020 Jul.
The ten-membered ring in the title mol-ecule, CHClNO, adopts an approximate chair-chair conformation, whereas the five-membered furan and pyrazole rings display envelope conformations. The mean plane of the furan ring is almost perpendicular to that of the pyrazole ring, as indicated by the dihedral angle between them of 86.45 (9)°. The pyrazole ring is slightly inclined to the plane of the attached phenyl ring, subtending a dihedral angle of 16.88 (8)°. The conformation of the mol-ecule is stabilized by six intra-molecular hydrogen bonds and crystal cohesion is ensured by five C-H⋯O hydrogen bonds, in addition to C-H⋯π inter-actions.
标题分子CHClNO中的十元环呈近似椅式-椅式构象，而五元呋喃环和吡唑环呈信封式构象。呋喃环的平均平面几乎垂直于吡唑环的平均平面，二者之间的二面角为86.45 (9)°。吡唑环与相连苯环的平面略有倾斜，二面角为16.88 (8)°。分子构象通过六个分子内氢键得以稳定，除C-H⋯π相互作用外，五个C-H⋯O氢键确保了晶体的凝聚。
