Crystallography Open Database

Information card for entry 2022470

2022469 << 2022470 >> 2022471

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Structure parameters

Common name	N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene
Chemical name	(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol
Formula	C21 H26 Cl N O
Calculated formula	C21 H26 Cl N O
Title of publication	Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour
Authors of publication	Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
Journal of publication	Acta Crystallographica Section C
Year of publication	2021
Journal volume	77
Journal issue	10
Pages of publication	659 - 667
a	17.9412 ± 0.0017 Å
b	10.5067 ± 0.0007 Å
c	10.389 ± 0.0007 Å
α	90°
β	92.719 ± 0.007°
γ	90°
Cell volume	1956.2 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
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	0.0983
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
269400 (current)	2021-09-30	cif/ hkl/ Adding structures of 2022468, 2022469, 2022470, 2022471, 2022472, 2022473, 2022474, 2022475, 2022476, 2022477, 2022478, 2022479, 2022480, 2022481 via cif-deposit CGI script.	2022470.cif 2022470.hkl