Crystallography Open Database

Information card for entry 7246807

Preview

Coordinates	7246807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 N4 O4
Calculated formula	C15 H14 N4 O4
SMILES	O=N(=O)c1cc(C)cc2c1NCCC\2=N/NC(=O)c1occc1
Title of publication	ANTI PROLIFERATIVE ACTIVITY OF NITROQUINOLONE FUSED ACYLHYDRAZONES AS NON-SMALL CELL HUMAN LUNG CANCER AGENTS
Authors of publication	Nandakumar, Vandana; Sundarasamy, Amsaveni; Adhigaman , Kaviyarasu; Ramasamy, Sentamil Selvi; Paulpandi, Manickam; Kodiveri Muthukaliannan, Gothandam; Narayanasamy, Arul; THANGARAJ, SURESH
Journal of publication	RSC Medicinal Chemistry
Year of publication	2023
a	10.1696 ± 0.0015 Å
b	10.2024 ± 0.0016 Å
c	14.523 ± 0.002 Å
α	78.333 ± 0.005°
β	79.157 ± 0.005°
γ	86.414 ± 0.005°
Cell volume	1448.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2132
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
283842 (current)	2023-05-18	cif/ Adding structures of 7246807, 7246808 via cif-deposit CGI script.	7246807.cif