Crystallography Open Database

Information card for entry 2242571

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Structure parameters

Chemical name	<i>N</i>,<i>N</i>'-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine
Formula	C26 H36 N2 O2
Calculated formula	C26 H36 N2 O2
SMILES	Oc1c(cc(cc1/C=N/CC/N=C/c1c(O)c(cc(c1)C)C(C)(C)C)C)C(C)(C)C
Title of publication	Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine
Authors of publication	Sen, Pinar; Kansiz, Sevgi; Golenya, Irina A.; Dege, Necmi
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	8
Pages of publication	1147 - 1150
a	13.1124 ± 0.0014 Å
b	9.8498 ± 0.0006 Å
c	19.737 ± 0.002 Å
α	90°
β	106.892 ± 0.008°
γ	90°
Cell volume	2439.1 ± 0.4 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	0.1426
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	0.784
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
209235 (current)	2018-07-24	cif/ hkl/ Adding structures of 2242571 via cif-deposit CGI script.	2242571.cif 2242571.hkl