Crystallography Open Database

Information card for entry 7054817

Preview

Coordinates	7054817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 N2
Calculated formula	C21 H14 N2
SMILES	n1c2ccccc2[nH]c1c1c2ccccc2cc2ccccc12
Title of publication	Synthesis, DNA interaction and anticancer activity of 2-anthryl substituted benzimidazole derivatives
Authors of publication	Sontakke, Vyankat A.; Kate, Anup N.; Ghosh, Sougata; More, Piyush; Gonnade, Rajesh; Kumbhar, Navanath M.; Kumbhar, Anupa A.; Chopade, Balu A.; Shinde, Vaishali S.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	6
Pages of publication	4882
a	12.8102 ± 0.0003 Å
b	12.3291 ± 0.0003 Å
c	10.2865 ± 0.0002 Å
α	90°
β	112.007 ± 0.001°
γ	90°
Cell volume	1506.26 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.1088
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2133
Weighted residual factors for all reflections included in the refinement	0.2479
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7054817.cif
138787	2015-06-07	cif/ Updating files of 7054817 Original log message: Adding full bibliography for 7054817.cif.	7054817.cif
135963	2015-05-09	cif/ Adding structures of 7054817 via cif-deposit CGI script.	7054817.cif