Crystallography Open Database

Information card for entry 7232080

7232079 << 7232080 >> 7232081

Preview

Coordinates	7232080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 N4 O4
Calculated formula	C6 H6 N4 O4
Title of publication	Multicomponent crystals of nitrofurazone ‒ when more is less
Authors of publication	Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	7
Pages of publication	1091
a	4.2098 ± 0.0005 Å
b	6.9632 ± 0.0009 Å
c	14.2021 ± 0.0018 Å
α	90°
β	92.36 ± 0.003°
γ	90°
Cell volume	415.96 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
223656 (current)	2019-11-07	cif/ Updating files of 7232079, 7232080, 7232081, 7232082, 7232083 Original log message: Adding full bibliography for 7232079--7232083.cif.	7232080.cif
212922	2019-01-11	cif/ Adding structures of 7232079, 7232080, 7232081, 7232082, 7232083 via cif-deposit CGI script.	7232080.cif