Crystallography Open Database

Information card for entry 7240366

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Structure parameters

Formula	C23 H20 Cl N5 O2
Calculated formula	C23 H20 Cl N5 O2
SMILES	Clc1ccc(c2nc3n(n2)ccc(c3C#N)c2ccc(OC)cc2)cc1.O=CN(C)C
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	22.8101 ± 0.0009 Å
b	7.5155 ± 0.0003 Å
c	24.7196 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4237.7 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240366.cif
258033	2020-10-06	cif/ Updating files of 7240361, 7240362, 7240363, 7240364, 7240365, 7240366 Original log message: Adding full bibliography for 7240361--7240366.cif.	7240366.cif
250975	2020-04-21	cif/ Adding structures of 7240361, 7240362, 7240363, 7240364, 7240365, 7240366 via cif-deposit CGI script.	7240366.cif