Crystallography Open Database

Information card for entry 7058074

Preview

Coordinates	7058074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Cl N5 O
Calculated formula	C19 H16 Cl N5 O
Title of publication	Design, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety
Authors of publication	Si, Wei-Jie; Wang, Xiao-Bin; Chen, Min; Wang, Meng-Qi; Lu, Ai-Min; Yang, Chun-Long
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	7
Pages of publication	3000
a	9.2973 ± 0.0004 Å
b	16.7097 ± 0.0007 Å
c	11.0503 ± 0.0005 Å
α	90°
β	94.76 ± 0.004°
γ	90°
Cell volume	1710.8 ± 0.13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
224882 (current)	2019-11-08	cif/ Updating files of 7058074 Original log message: Adding full bibliography for 7058074.cif.	7058074.cif
212975	2019-01-11	cif/ Adding structures of 7058074 via cif-deposit CGI script.	7058074.cif