Crystallography Open Database

Information card for entry 8000259

Preview

Coordinates	8000259.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N-Benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide
Formula	C16 H16 N4 O
Calculated formula	C16 H16 N4 O
Title of publication	Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates
Authors of publication	Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller
Journal of publication	Bioorganic & Medicinal Chemistry Letters
Year of publication	2014
Journal volume	24
Pages of publication	3493 - 3498
a	9.3005 ± 0.0008 Å
b	6.6121 ± 0.0005 Å
c	11.8267 ± 0.001 Å
α	90°
β	106.276 ± 0.001°
γ	90°
Cell volume	698.14 ± 0.1 Å³
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
204919 (current)	2018-01-08	cif/ Adding structures of 8000259 via cif-deposit CGI script.	8000259.cif