Crystallography Open Database

Information card for entry 2244224

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Structure parameters

Chemical name	<i>N</i>,<i>N</i>'-Diphenyl-2-[1-(propylamino)ethylidene]propanediamide
Formula	C20 H23 N3 O2
Calculated formula	C20 H23 N3 O2
Title of publication	Two polymorphs of <i>N</i>,<i>N</i>'-diphenyl-2-[1-(propyl-amino)-ethyl-idene]propanedi-amide.
Authors of publication	Herbig, Marcus; Böhme, Uwe
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 4
Pages of publication	308 - 312
a	27.7071 ± 0.0011 Å
b	27.7071 ± 0.0011 Å
c	9.4575 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7260.4 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
283580 (current)	2023-05-06	cif/ Updating files of 2244223, 2244224 Original log message: Adding full bibliography for 2244223--2244224.cif.	2244224.cif 2244224.hkl
281861	2023-03-14	cif/ hkl/ Adding structures of 2244223, 2244224 via cif-deposit CGI script.	2244224.cif 2244224.hkl