Crystallography Open Database

Information card for entry 7240363

Preview

Coordinates	7240363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 Cl N4
Calculated formula	C21 H13 Cl N4
SMILES	Clc1ccc(c2c(c3n(nc(n3)/C=C/c3ccccc3)cc2)C#N)cc1
Title of publication	A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors
Authors of publication	Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	26
Pages of publication	15554 - 15572
a	7.653 ± 0.011 Å
b	6.928 ± 0.009 Å
c	32.82 ± 0.04 Å
α	90°
β	94.79 ± 0.03°
γ	90°
Cell volume	1734 ± 4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.2474
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258033 (current)	2020-10-06	cif/ Updating files of 7240361, 7240362, 7240363, 7240364, 7240365, 7240366 Original log message: Adding full bibliography for 7240361--7240366.cif.	7240363.cif
250975	2020-04-21	cif/ Adding structures of 7240361, 7240362, 7240363, 7240364, 7240365, 7240366 via cif-deposit CGI script.	7240363.cif