Crystallography Open Database

Information card for entry 2023542

2023541 << 2023542 >> 2023543

Preview

Coordinates	2023542.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Methyl 2-[(4-cyanophenyl)methoxy]quinoline-4-carboxylate
Formula	C19 H14 N2 O3
Calculated formula	C19 H14 N2 O3
Title of publication	Crystal structure and Hirshfeld surface analyses, interaction energy calculations and energy frameworks of methyl 2-[(4-cyanophenyl)methoxy]quinoline-4-carboxylate
Authors of publication	El-Mrabet, Ayoub; Haoudi, Amal; Capet, Frederic; Hökelek, Tuncer; Ahmed, Mazzah
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	7
Pages of publication	650 - 656
a	7.781 ± 0.0006 Å
b	15.6978 ± 0.0011 Å
c	25.966 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3171.6 ± 0.4 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
300256 (current)	2025-06-28	cif/ Adding structures of 2023542 via cif-deposit CGI script.	2023542.cif