Crystallography Open Database

Information card for entry 7241774

Preview

Coordinates	7241774.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-Methoxy-N'-[(E)-(2-propoxyphenyl)methylidene]benzohydrazide
Formula	C18 H20 N2 O3
Calculated formula	C18 H20 N2 O3
SMILES	O(c1ccc(cc1)C(=O)N/N=C/c1ccccc1OCCC)C
Title of publication	Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies
Authors of publication	Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	4
Pages of publication	955 - 971
a	23.896 ± 0.008 Å
b	4.9911 ± 0.0017 Å
c	13.723 ± 0.004 Å
α	90°
β	102.782 ± 0.012°
γ	90°
Cell volume	1596.1 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1123
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
261604 (current)	2021-02-05	cif/ Updating files of 7241774, 7241775 Original log message: Adding full bibliography for 7241774--7241775.cif.	7241774.cif
259743	2020-12-10	cif/ Adding structures of 7241774, 7241775 via cif-deposit CGI script.	7241774.cif