Crystallography Open Database

Information card for entry 7223802

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Structure parameters

Formula	C15 H16 N2 O
Calculated formula	C15 H16 N2 O
SMILES	O=C(NCCc1ccccc1)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	9.5732 ± 0.0013 Å
b	9.6932 ± 0.0013 Å
c	14.0706 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1305.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0885
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1711
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7223802.cif
173682	2016-01-08	cif/ Adding structures of 7223802, 7223803, 7223804, 7223805, 7223806, 7223807 via cif-deposit CGI script.	7223802.cif