Crystallography Open Database

Information card for entry 7221142

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Structure parameters

Formula	C23 H18 Br N5
Calculated formula	C23 H18 Br N5
SMILES	Brc1ccc(cc1)Cn1nnc(c1)c1nc2n(c1Cc1ccccc1)cccc2
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	10.5296 ± 0.0011 Å
b	17.3251 ± 0.0018 Å
c	22.405 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4087.3 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1445
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7221142.cif
141472	2015-07-09	cif/ Adding structures of 7221141, 7221142 via cif-deposit CGI script.	7221142.cif