Crystallography Open Database

Information card for entry 7156076

Preview

Coordinates	7156076.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4-Chlorophenyl)(3-phenylimidazo[1,2-a]pyridin-2-yl)methanone
Formula	C20 H13 Cl N2 O
Calculated formula	C20 H13 Cl N2 O
SMILES	Clc1ccc(C(=O)c2c(n3c(n2)cccc3)c2ccccc2)cc1
Title of publication	Iodine-NH<sub>4</sub>OAc mediated regioselective synthesis of 2-aroyl-3-arylimidazo[1,2-a]pyridines from 1,3-diaryl-prop-2-en-1-ones.
Authors of publication	Kour, Dilpreet; Gupta, Annah; Kapoor, Kamal K.; Gupta, Vivek K.; Rajnikant, ?; Singh, Deepika; Das, Parthasarathi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	8
Pages of publication	1330 - 1336
a	6.3278 ± 0.0005 Å
b	13.3923 ± 0.001 Å
c	18.8088 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1593.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
230645 (current)	2019-11-17	cif/ Updating files of 7156076 Original log message: Adding full bibliography for 7156076.cif.	7156076.cif
205487	2018-01-23	cif/ Adding structures of 7156076 via cif-deposit CGI script.	7156076.cif