Crystallography Open Database

Information card for entry 7155573

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Structure parameters

Formula	C20 H16 N2
Calculated formula	C20 H16 N2
SMILES	n1c(c(n2ccccc12)c1ccc(cc1)C)c1ccccc1
Title of publication	Regiocontrolled functionalization of 2,3-dihalogenoimidazo[1,2-a]pyridines by Suzuki-Miyaura and Sonogashira cross-coupling reactions
Authors of publication	Delaye, Pierre-Olivier; Pénichon, Mélanie; Allouchi, Hassan; Enguehard-Gueiffier, Cecile; Gueiffier, Alain
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	7.0562 ± 0.0013 Å
b	9.0008 ± 0.0013 Å
c	12.13 ± 0.002 Å
α	90.532 ± 0.013°
β	92.165 ± 0.015°
γ	100.461 ± 0.014°
Cell volume	756.9 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7155573.cif
195339	2017-04-12	cif/ Adding structures of 7155573 via cif-deposit CGI script.	7155573.cif