Crystallography Open Database

Information card for entry 1558429

Preview

Coordinates	1558429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Br F2 N4 O S
Calculated formula	C15 H11 Br F2 N4 O S
Title of publication	Design, Synthesis and Evaluation of Antifungal Activity of Novel Pyrazole-thiazole Carboxamides as Succinate Dehydrogenase Inhibitors.
Authors of publication	Yu, Bin; Zhou, Shuang; Cao, Lixin; Hao, Zesheng; Yang, Dongyan; Guo, Xiaofeng; Zhang, Nailou; Bakulev, Vasiliy A.; Fan, Zhijin
Journal of publication	Journal of agricultural and food chemistry
Year of publication	2020
a	8.0375 ± 0.0002 Å
b	9.3645 ± 0.0002 Å
c	12.0386 ± 0.0003 Å
α	92.048 ± 0.002°
β	106.633 ± 0.002°
γ	102.379 ± 0.002°
Cell volume	843.44 ± 0.04 Å³
Cell temperature	294.15 K
Ambient diffraction temperature	294.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253486 (current)	2020-06-27	cif/ Adding structures of 1558429 via cif-deposit CGI script.	1558429.cif