Crystallography Open Database

Information card for entry 7251284

Preview

Coordinates	7251284.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(E)-4-((4-hexyloxyphenyl)diazenyl)benzonitrile
Chemical name	Azonitrile
Formula	C19 H21 N3 O
Calculated formula	C19 H21 N3 O
Title of publication	Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals
Authors of publication	Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K.
Journal of publication	CrystEngComm
Year of publication	2025
a	5.812 ± 0.0012 Å
b	7.468 ± 0.0015 Å
c	37.455 ± 0.008 Å
α	90°
β	93.01 ± 0.03°
γ	90°
Cell volume	1623.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303376 (current)	2025-11-25	cif/ Adding structures of 7251280, 7251281, 7251282, 7251283, 7251284, 7251285 via cif-deposit CGI script.	7251284.cif