Crystallography Open Database

Information card for entry 7246789

Preview

Coordinates	7246789.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nilutamide-Adenine cocrystal
Formula	C17 H15 F3 N8 O4
Calculated formula	C17 H15 F3 N8 O4
Title of publication	Polymorphs, cocrystal and hydrate of nilutamide
Authors of publication	Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	24
Pages of publication	3501 - 3513
a	7.3886 ± 0.0005 Å
b	12.2118 ± 0.0008 Å
c	20.8355 ± 0.0013 Å
α	90°
β	98.845 ± 0.003°
γ	90°
Cell volume	1857.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0751
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
284913 (current)	2023-07-05	cif/ Updating files of 7246786, 7246787, 7246788, 7246789 Original log message: Adding full bibliography for 7246786--7246789.cif.	7246789.cif
283790	2023-05-16	cif/ Adding structures of 7246786, 7246787, 7246788, 7246789 via cif-deposit CGI script.	7246789.cif