Crystallography Open Database

Information card for entry 8106244

Preview

Coordinates	8106244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 F N2 O2
Calculated formula	C19 H21 F N2 O2
SMILES	CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c1ccc(c(c1)OC)F
Title of publication	The crystal structure of 4-tert-butyl-N′-[(E)-(4-fluoro-3-methoxyphenyl)methylidene]benzohydrazide, C19H21F1N2O2
Authors of publication	Ikram, Muhammad; Khan, Momin; Ahmad, Sajjad; Rehman, Sadia; Schulzke, Carola
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	643 - 645
a	14.337 ± 0.003 Å
b	15.549 ± 0.003 Å
c	8.0212 ± 0.0016 Å
α	90°
β	103.33 ± 0.03°
γ	90°
Cell volume	1740 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.2056
Weighted residual factors for all reflections included in the refinement	0.2192
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
279543 (current)	2022-11-24	cif/ Adding structures of 8106244 via cif-deposit CGI script.	8106244.cif