Crystallography Open Database

Information card for entry 2312494

Preview

Coordinates	2312494.cif
Original IUCr paper	HTML

Structure parameters

Formula	C23 H17 Cl2 N7
Calculated formula	C23 H17 Cl2 N7
Title of publication	Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Authors of publication	Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2024
Journal volume	80
Journal issue	3
a	10.3096 ± 0.0008 Å
b	10.6257 ± 0.0006 Å
c	12.0489 ± 0.0011 Å
α	74.28 ± 0.006°
β	75.318 ± 0.007°
γ	67.161 ± 0.006°
Cell volume	1154.46 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0525
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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/2312494.html