Crystallography Open Database

Information card for entry 1519760

1519759 << 1519760 >> 1519761

Preview

Coordinates	1519760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 Cl2 F3 N2 O1.5
Calculated formula	C11 H7 Cl2 F3 N2 O1.5
Title of publication	One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.
Authors of publication	Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	11
Pages of publication	2856 - 2859
a	7.501 ± 0.0007 Å
b	40.025 ± 0.005 Å
c	16.7795 ± 0.0017 Å
α	90°
β	94.664 ± 0.009°
γ	90°
Cell volume	5021 ± 0.9 Å³
Cell temperature	293 ± 0.2 K
Ambient diffraction temperature	293 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.3006
Residual factor for significantly intense reflections	0.1284
Weighted residual factors for significantly intense reflections	0.3051
Weighted residual factors for all reflections included in the refinement	0.4112
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1519760.cif
154781	2015-09-06	cif/ Updating files of 1519757, 1519758, 1519759, 1519760, 1519761 Original log message: Adding full bibliography for 1519757--1519761.cif.	1519760.cif
137004	2015-05-20	cif/ Adding structures of 1519760 via cif-deposit CGI script.	1519760.cif