Crystallography Open Database

Information card for entry 7249786

Preview

Coordinates	7249786.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-hydroxy-2-(naphthalen-1-yl)-1H-imidazole 3-oxide
Formula	C13 H10 N2 O2
Calculated formula	C13 H10 N2 O2
Title of publication	Scalable ultrasound-assisted synthesis of hydroxy imidazole N-oxides and evaluation of their anti-proliferative activities; mechanistic insights into the deoximation of dioximes
Authors of publication	Mukhia, Munna; Rai, Sagar; Rai, Yachna; Chakraborty, Koushik; Dey, Sangita; Tiwary, Bipransh Kumar; Brahman, Dhiraj; Kumar, Anoop; Pradhan, Kiran
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	2
Pages of publication	938 - 946
a	8.9333 ± 0.0005 Å
b	10.9751 ± 0.0006 Å
c	11.0707 ± 0.0006 Å
α	90°
β	90.371 ± 0.002°
γ	90°
Cell volume	1085.39 ± 0.1 Å³
Cell temperature	304 ± 2 K
Ambient diffraction temperature	304 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
297349 (current)	2025-01-16	cif/ Adding structures of 7249786 via cif-deposit CGI script.	7249786.cif