Crystallography Open Database

Information card for entry 2023528

2023527 << 2023528 >> 2023529

Preview

Coordinates	2023528.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-2-[(Pyren-1-ylmethylidene)amino]ethanol
Formula	C19 H15 N O
Calculated formula	C19 H15 N O
Title of publication	Crystal structure and Hirshfeld surface analyses, crystal voids, interaction energy calculations and energy frameworks of (E)-2-[(pyren-1-ylmethylidene)amino]ethanol
Authors of publication	Eltayeb, Naser E.; Hökelek, Tuncer; Lasri, Jamal
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	7
a	7.447 ± 0.002 Å
b	20.916 ± 0.008 Å
c	8.446 ± 0.003 Å
α	90°
β	93.347 ± 0.009°
γ	90°
Cell volume	1313.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0476
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
300215 (current)	2025-06-26	cif/ Adding structures of 2023528 via cif-deposit CGI script.	2023528.cif