Crystallography Open Database

Information card for entry 7221141

Preview

Coordinates	7221141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H11 N3 O3
Calculated formula	C7 H11 N3 O3
SMILES	OCc1nnn(c1)CC(=O)OCC
Title of publication	Synthesis of 2-triazolyl-imidazo[1,2-a]pyridine through one-pot three-component reaction using nano copper oxide assisted click-catalyst
Authors of publication	Khan, Abu Taleb; Ray Bagdi, Prasanta; Basha R, Sidick
Journal of publication	RSC Adv.
Year of publication	2015
a	7.9591 ± 0.0004 Å
b	4.8417 ± 0.0003 Å
c	23.7648 ± 0.0014 Å
α	90°
β	94.296 ± 0.005°
γ	90°
Cell volume	913.22 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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 all reflections	0.0769
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221141.cif
141472	2015-07-09	cif/ Adding structures of 7221141, 7221142 via cif-deposit CGI script.	7221141.cif