Crystallography Open Database

Information card for entry 7230563

Preview

Coordinates	7230563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N2 O2
Calculated formula	C10 H10 N2 O2
Title of publication	Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes
Authors of publication	Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	21
Pages of publication	2907
a	7.3454 ± 0.0013 Å
b	6.2161 ± 0.001 Å
c	10.797 ± 0.0018 Å
α	90°
β	108.144 ± 0.015°
γ	90°
Cell volume	468.48 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0895
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.184
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
229110 (current)	2019-11-17	cif/ Updating files of 7230563, 7230564, 7230565 Original log message: Adding full bibliography for 7230563--7230565.cif.	7230563.cif
207483	2018-04-26	cif/ Adding structures of 7230563, 7230564, 7230565 via cif-deposit CGI script.	7230563.cif