Crystallography Open Database

Information card for entry 7124024

Preview

Coordinates	7124024.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Isoniazid-D-tartaric acid salt
Formula	C20 H26 N6 O14
Calculated formula	C20 H26 N6 O14
Title of publication	Effect of Solvent Polarity in Mechanochemistry: Preparation of Conglomerate vs. Racemate
Authors of publication	Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhuyan, Achyut; Thakuria, Ranjit
Journal of publication	Chemical Communications
Year of publication	2019
a	7.8533 ± 0.0002 Å
b	15.1576 ± 0.0004 Å
c	19.7612 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2352.32 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0695
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.178
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7124024.html