Crystallography Open Database

Information card for entry 1552557

Preview

Coordinates	1552557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 F4 N2 O3 S2
Calculated formula	C19 H15 F4 N2 O3 S2
SMILES	s1c(C(=O)Nc2c(c3cc(F)c(F)c(F)c3)cc(F)cc2)c(O)nc1C.S(=O)(C)C
Title of publication	Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.
Authors of publication	Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.
Journal of publication	Journal of agricultural and food chemistry
Year of publication	2019
Journal volume	67
Journal issue	6
Pages of publication	1647 - 1655
a	7.2642 ± 0.0015 Å
b	11.55 ± 0.002 Å
c	13.424 ± 0.003 Å
α	69.71 ± 0.03°
β	84.79 ± 0.03°
γ	73.31 ± 0.03°
Cell volume	1011.9 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1927
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222060 (current)	2019-11-03	cif/ Adding structures of 1552557 via cif-deposit CGI script.	1552557.cif