Crystallography Open Database

Information card for entry 7240138

Preview

Coordinates	7240138.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine
Chemical name	1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine
Formula	C16 H17 N5 O2
Calculated formula	C16 H17 N5 O2
Title of publication	Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon
Authors of publication	GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.
Journal of publication	CrystEngComm
Year of publication	2020
a	11.7424 ± 0.0009 Å
b	11.8549 ± 0.0008 Å
c	12.719 ± 0.0007 Å
α	104.86 ± 0.005°
β	93.046 ± 0.006°
γ	112.269 ± 0.007°
Cell volume	1561.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0907
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1636
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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/7240138.html