Crystallography Open Database

Information card for entry 7233879

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Coordinates	7233879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N5 O
Calculated formula	C18 H17 N5 O
Title of publication	Unusual rearrangement of imidazo[1,5-a]imidazoles and imidazo[1,2-b]pyrazoles into imidazo[1,5-a]pyrimidines and pyrazolo[1,5-a]pyrimidines
Authors of publication	Gambouz, Khadija; Driowya, Mohsine; Loubidi, Mohammed; Tber, Zahira; Allouchi, Hassan; El Kazzouli, Saïd; Akssira, Mohamed; Guillaumet, Gérald
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	50
Pages of publication	29051
a	10.7895 ± 0.0004 Å
b	14.8634 ± 0.0007 Å
c	10.0794 ± 0.0005 Å
α	90°
β	92.246 ± 0.004°
γ	90°
Cell volume	1615.18 ± 0.13 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0884
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
218336 (current)	2019-09-17	cif/ Adding structures of 7233879 via cif-deposit CGI script.	7233879.cif