(E)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]acrylonitrile

IUCrData

Gamal A. El-Hiti¹  Bakr F. Abdel-Wahab²  Mohammad Hayal Alotaibi³  Amany S. Hegazy⁴  Benson M. Kariuki⁴ 

[1] Cornea Research Chair, Department of Optometry, College of Applied Medical Sciences, King Saud University, PO Box 10219, Riyadh 11433, Saudi Arabia;Department of Chemistry, College of Science and Humanities, Shaqra University, Duwadimi, Saudi Arabia;National Center for Petrochemicals Technology, King Abdulaziz City for Science and Technology, PO Box 6086, Riyadh 11442, Saudi Arabia;School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UK;

关键词: crystal structure;    heterocycles;    π–π interaction;   

DOI  :  10.1107/S2414314618001712

来源: DOAJ

【 摘 要 】

The asymmetric unit of the title compound, C23H15N3OS, consists of two crystallographically independent molecules, which are related by a pseudo-inversion centre. In one molecule, the pyrazolyl ring makes dihedral angles of 35.7 (4), 19.1 (1) and 47.3 (1)°, respectively, with the thiophenyl ring, the attached phenyl ring and the phenyl ring of the benzoyl group. In the second molecule, the corresponding values are 37.4 (1), 16.1 (1) and 48.2 (1)°, respectively. In the crystal, the two independent molecules are linked to each other via a π–π interaction between the pyrazolyl rings [centroid–centroid distance = 3.578 (12) Å]. Weak intermolecular C—H...O interactions are also observed. The thiophenyl ring of one molecule is disordered over two orientations, with a refined occupancy ratio of 0.768 (3):0.232 (3).

【 授权许可】

Unknown