Crystallography Open Database

Information card for entry 7157306

Preview

Coordinates	7157306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 Cl N3 O2
Calculated formula	C13 H8 Cl N3 O2
Title of publication	Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.
Authors of publication	Saha, Moumita; Das, Asish R.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	5
Pages of publication	941 - 955
a	7.7529 ± 0.0006 Å
b	7.7548 ± 0.0006 Å
c	23.621 ± 0.002 Å
α	92.139 ± 0.005°
β	91.463 ± 0.005°
γ	118.775 ± 0.003°
Cell volume	1242.38 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	2.079
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
249030 (current)	2020-03-05	cif/ Updating files of 7157305, 7157306 Original log message: Adding full bibliography for 7157305--7157306.cif.	7157306.cif
246729	2020-01-11	cif/ Adding structures of 7157305, 7157306 via cif-deposit CGI script.	7157306.cif