Crystallography Open Database

Information card for entry 1547183

Preview

Coordinates	1547183.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hamada_F8_30_09_12_a
Formula	C15 H10 Cl2 N2 O2
Calculated formula	C15 H10 Cl2 N2 O2
SMILES	Clc1ccc(cc1)N/N=C(/C(=O)c1ccc(Cl)cc1)C=O
Title of publication	Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents
Authors of publication	Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi
Journal of publication	Chemistry Central Journal
Year of publication	2013
Journal volume	7
Pages of publication	123
a	6.357 ± 0.0003 Å
b	7.2377 ± 0.0003 Å
c	16.7375 ± 0.0007 Å
α	80.359 ± 0.003°
β	82.469 ± 0.003°
γ	72.36 ± 0.003°
Cell volume	720.87 ± 0.06 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	0.0457
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	1.9
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200923 (current)	2017-09-15	cif/ Adding structures of 1547183 via cif-deposit CGI script.	1547183.cif