Crystallography Open Database

Information card for entry 8107703

Preview

Coordinates	8107703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 F N2 O2
Calculated formula	C16 H15 F N2 O2
SMILES	c1(ccc(cc1)/C(=N/NC(=O)c1ccc(cc1)F)CC)O
Title of publication	The crystal structure of (E)-4-fluoro-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2
Authors of publication	Wen, Juanjuan; Liu, Langlang; Tang, Wenqiang; Liu, Bin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	6
Pages of publication	1205 - 1207
a	7.2516 ± 0.0006 Å
b	11.378 ± 0.0009 Å
c	17.1177 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1412.36 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0687
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
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
287965 (current)	2023-12-04	cif/ Adding structures of 8107703 via cif-deposit CGI script.	8107703.cif