Crystallography Open Database

Information card for entry 2238838

Preview

Coordinates	2238838.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)<i>-N</i>,<i>N</i>-Diethyl-2,6-diisopropyl-4-[2-(4-nitrophenyl)ethenyl]aniline
Formula	C24 H32 N2 O2
Calculated formula	C24 H32 N2 O2
SMILES	c1(cc(c(c(c1)C(C)C)N(CC)CC)C(C)C)/C=C/c1ccc(cc1)N(=O)=O
Title of publication	(<i>E</i>)<i>-N</i>,<i>N</i>-Diethyl-2,6-diisopropyl-4-[2-(4-nitrophenyl)ethenyl]aniline
Authors of publication	Wink, Christoph; Schollmeyer, Dieter; Detert, Heiner
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1785 - o1786
a	7.3477 ± 0.0007 Å
b	15.4143 ± 0.0014 Å
c	20.3747 ± 0.0019 Å
α	104.642 ± 0.008°
β	92.414 ± 0.008°
γ	90.793 ± 0.007°
Cell volume	2230 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1559
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1739
Goodness-of-fit parameter for all reflections included in the refinement	0.79
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238838.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238838.cif
92045	2014-01-12	cif/ Adding structures of 2238838 via cif-deposit CGI script.	2238838.cif