Crystallography Open Database

Information card for entry 7223805

Preview

Coordinates	7223805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 N3 O2
Calculated formula	C13 H19 N3 O2
SMILES	O=C(NCCN1CCOCC1)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	9.3267 ± 0.0014 Å
b	9.8628 ± 0.0015 Å
c	14.061 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1293.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7223805.cif