Crystallography Open Database

Information card for entry 2023073

2023072 << 2023073 >> 2023074

Preview

Coordinates	2023073.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate
Formula	C13 H13 Cl N2 O3
Calculated formula	C13 H13 Cl N2 O3
Title of publication	Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.
Authors of publication	Mustaphi, Nour El Hoda; Aboutofil, Fatima Ezzahra; El Houssni, Lamyae; Saif, Eiad; Mague, Joel T.; Chkirate, Karim; Essassi, El Mokhtar
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 4
Pages of publication	430 - 434
a	22.8042 ± 0.0011 Å
b	4.7826 ± 0.0002 Å
c	11.7421 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1280.63 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291727 (current)	2024-05-06	cif/ Updating files of 2023073 Original log message: Adding full bibliography for 2023073.cif.	2023073.cif
290678	2024-03-27	cif/ Adding structures of 2023073 via cif-deposit CGI script.	2023073.cif