Crystallography Open Database

Information card for entry 1547184

Preview

Coordinates	1547184.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hamada_F4_20_05_12
Formula	C15 H11 Cl N2 O2
Calculated formula	C15 H11 Cl N2 O2
SMILES	Clc1ccc(C(=O)/C(=N/Nc2ccccc2)C=O)cc1
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	6.0147 ± 0.0002 Å
b	7.3767 ± 0.0002 Å
c	16.5968 ± 0.0004 Å
α	80.941 ± 0.002°
β	85.362 ± 0.001°
γ	67.694 ± 0.001°
Cell volume	672.6 ± 0.03 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	0.0379
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200924 (current)	2017-09-15	cif/ Adding structures of 1547184 via cif-deposit CGI script.	1547184.cif