Crystallography Open Database

Information card for entry 2023358

2023357 << 2023358 >> 2023359

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Coordinates	2023358.cif
Original IUCr paper	HTML

Structure parameters

Common name	2-Methylquinazolin-4(3<i>H</i>)-one hydrochloride
Chemical name	2-Methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride
Formula	C9 H9 Cl N2 O
Calculated formula	C9 H9 Cl N2 O
Title of publication	Crystal structure and Hirshfeld surface analysis of 2-methylquinazolin-4(3H)-one hydrochloride
Authors of publication	Davlatboev, Muzaffar; Allabergenova, Sevara; Zulpanov, Fazliddin; Yakubov, Ubaydullo; Tojiboev, Akmaljon; Sattarov, Tulkinjon
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
a	10.1221 ± 0.0005 Å
b	13.6533 ± 0.0004 Å
c	6.6248 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	915.55 ± 0.07 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.0084
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297376 (current)	2025-01-18	cif/ Adding structures of 2023358 via cif-deposit CGI script.	2023358.cif