Crystallography Open Database

Information card for entry 2311126

Preview

Coordinates	2311126.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-(1-Methylethyl)-<i>N</i>-((<i>E</i>)-4-{[1-(prop-2-en-1-yl)-1<i>H</i>- 1,2,3-triazol-4-yl]methoxy}benzylidene)aniline
Formula	C22 H24 N4 O
Calculated formula	C22 H24 N4 O
Title of publication	4-(1-Methyl-eth-yl)-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)aniline.
Authors of publication	Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Tahir, Muhammad Nawaz
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 2
Pages of publication	o247
a	5.5885 ± 0.0011 Å
b	8.3929 ± 0.0018 Å
c	42.069 ± 0.009 Å
α	90°
β	92.149 ± 0.01°
γ	90°
Cell volume	1971.8 ± 0.7 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	0.2129
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.2166
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245598 (current)	2019-12-25	cif/ Adding structures of 2311126 via cif-deposit CGI script.	2311126.cif