Crystallography Open Database

Information card for entry 2023582

2023581 << 2023582 >> 2023583

Preview

Coordinates	2023582.cif
Original IUCr paper	HTML

Structure parameters

Common name	(<i>Z</i>)-<i>N</i>-Allyl-3-(allylimino)-3<i>H</i>-isoindol-1-amine
Chemical name	(<i>Z</i>)-<i>N</i>-(Prop-2-en-1-yl)-3-(prop-2-en-1-ylimino)isoindol-1-amine
Formula	C14 H15 N3
Calculated formula	C14 H15 N3
Title of publication	Molecular and crystal structure of (Z)-N-allyl-3-(allylimino)-3H-isoindol-1-amine
Authors of publication	Tkachuk, Volodymyr A.; Shishkina, Svitlana V.; Hordiyenko, Olga V.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	10
Pages of publication	1226 - 1229
a	9.2429 ± 0.0006 Å
b	11.1785 ± 0.0008 Å
c	13.8791 ± 0.0011 Å
α	73.461 ± 0.007°
β	87.231 ± 0.006°
γ	67.95 ± 0.006°
Cell volume	1271.36 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.19
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
306931 (current)	2026-09-30	cif/ Adding structures of 2023582 via cif-deposit CGI script.	2023582.cif