Crystallography Open Database

Information card for entry 7240204

Preview

Coordinates	7240204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N8 O2
Calculated formula	C19 H18 N8 O2
Title of publication	Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents
Authors of publication	Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	21
Pages of publication	12272 - 12288
a	30.7919 ± 0.0005 Å
b	5.80932 ± 0.00008 Å
c	9.90381 ± 0.00015 Å
α	90°
β	96.4675 ± 0.0015°
γ	90°
Cell volume	1760.32 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0461
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258116 (current)	2020-10-06	cif/ Updating files of 7240204, 7240205, 7240206 Original log message: Adding full bibliography for 7240204--7240206.cif.	7240204.cif
249729	2020-03-26	cif/ Adding structures of 7240204, 7240205, 7240206 via cif-deposit CGI script.	7240204.cif