Crystallography Open Database

Information card for entry 7246587

Preview

Coordinates	7246587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H4 N2 O2
Calculated formula	C H4 N2 O2
SMILES	O=C(NO)N
Title of publication	Polymorph II of hydroxyurea 150 years after its first synthesis
Authors of publication	Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	18
Pages of publication	2712 - 2716
a	9.197 ± 0.0004 Å
b	9.197 ± 0.0004 Å
c	14.6568 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1239.74 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.252
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
284261 (current)	2023-06-05	cif/ Updating files of 7246587, 7246588 Original log message: Adding full bibliography for 7246587--7246588.cif.	7246587.cif
282598	2023-04-12	cif/ Adding structures of 7246587, 7246588 via cif-deposit CGI script.	7246587.cif