Crystallography Open Database

Information card for entry 7223807

Preview

Coordinates	7223807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N3 O
Calculated formula	C17 H15 N3 O
SMILES	O=C(NCCc1ncccc1)c1ccc(N)cc1
Title of publication	Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect
Authors of publication	Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.
Journal of publication	RSC Adv.
Year of publication	2016
a	19.628 ± 0.006 Å
b	19.628 ± 0.006 Å
c	8.151 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3140.2 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
173682 (current)	2016-01-08	cif/ Adding structures of 7223802, 7223803, 7223804, 7223805, 7223806, 7223807 via cif-deposit CGI script.	7223807.cif