Crystallography Open Database

Information card for entry 7233842

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Structure parameters

Formula	C H8 Cl N3 O
Calculated formula	C H8 Cl N3 O
Title of publication	CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups
Authors of publication	Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	40
Pages of publication	6072
a	7.909 ± 0.003 Å
b	17.113 ± 0.006 Å
c	8.049 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1089.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	53
Hermann-Mauguin space group symbol	P m n a
Hall space group symbol	-P 2ac 2
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233842.cif
223630	2019-11-07	cif/ Updating files of 7233842 Original log message: Adding full bibliography for 7233842.cif.	7233842.cif
218283	2019-09-14	cif/ Adding structures of 7233842 via cif-deposit CGI script.	7233842.cif