Crystallography Open Database

Information card for entry 7224646

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Structure parameters

Formula	C14 H12 N2 O2
Calculated formula	C14 H12 N2 O2
SMILES	c1(ccccc1O)/C=N/N=C/c1ccccc1O
Title of publication	Fluorescence staining of salicylaldehyde azine and applications in the determination of potassium tert-butoxide
Authors of publication	Yang, Jinlai; Rui, Jian; Xu, Xu; Yang, Yiqin; Su, Jun; Xu, Haijun; Wang, Yunyun; Sun, Nan; Wang, Shifa
Journal of publication	RSC Adv.
Year of publication	2016
a	8.5168 ± 0.0008 Å
b	6.307 ± 0.0006 Å
c	11.8129 ± 0.0011 Å
α	90°
β	107.892 ± 0.003°
γ	90°
Cell volume	603.85 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224646.cif
178362	2016-03-19	cif/ Adding structures of 7224646 via cif-deposit CGI script.	7224646.cif