Crystallography Open Database

Information card for entry 2023484

2023483 << 2023484 >> 2023485

Preview

Coordinates	2023484.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,2-Dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol
Formula	C13 H17 Cl2 F O3
Calculated formula	C13 H17 Cl2 F O3
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-di-chloro-3,3-dieth-oxy-1-(4-fluoro-phen-yl)propan-1-ol.
Authors of publication	Guseynova, Saadet N.; Samigullina, Aida I.; Demir, Cemile Baydere; Dege, Necmi; Sepay, Nayim; Zangrando, Ennio; Hasanov, Khudayar I.; Belay, Alebel N.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	444 - 447
a	10.5608 ± 0.0003 Å
b	10.8048 ± 0.0003 Å
c	12.8872 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1470.52 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
299935 (current)	2025-06-03	cif/ Updating files of 2023484 Original log message: Adding full bibliography for 2023484.cif.	2023484.cif
299463	2025-04-30	cif/ Adding structures of 2023484 via cif-deposit CGI script.	2023484.cif