Lamotrigine

(Last updated January 2026)

Embedded image

Figure . The molecular diagram of Lamotrigine.

CSP studies

REFCODE	EFEMUX
Formula	C9 H7 N5 Cl2
Common Name	Lamotrigine
IUPAC Systematic Name	6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
Other Names
CSD Refcodes	EFEMUX01

Search Identifier	A
Scientist	Louise Price
Date	2018
Publication	No publication planned.
Energy model	2
Study_ID	10
Programs	Study_ID=20, CrystalOptimizer (2.4.7.1), DMACRYS (2.3.0)
Location on S Drive	\\CHEMISTRY_CPOSS\\MagnaPharm\\Lamotrigine\\CrystOpt
Potential Description	CrystalOptimizer PBE1PBE/6-31G(d,p) intramolecular + GDMA2.2(PBE1PBE/6-31G(d,p)) DMA + FIT
Intramolecular Description	PBE1PBE/6-31G(d,p)
Energy model	1
Study_ID	20
Programs	Flexible CrystalPredictor (2.2), DMACRYS (2.3.0)
Location on S Drive	\\CHEMISTRY_CPOSS\\MagnaPharm\\Lamotrigine\\CP_Dmacrys
Potential Description	CrystalPredictor + DMACRYS with GDMA2.2(PBE1PBE/6-31G(d,p)) + FIT
Intramolecular Description	PBE0/6-31G(d,p)

Embedded image

Figure . Crystal energy landscape of Lamotrigine from previous work.

Table . Crystallographic information for CSD entries for Lamotrigine. Different polymorphs are coloured differently.

REFCODE	space group	Z’	a / Å	b / Å	c / Å	α / °	β / °	γ / °	density / g cm^-3	Form
EFEMUX01	C2/c	1.0	19.136	8.6409	13.5549	90.0	109.172	90.0	1.6069	None
EFEMUX02	C2/c	1.0	20.081(4)	8.864(1)	14.091(3)	90.00	109.48(3)	90.00	1.439	None

Table . Experimental information for CSD entries for Lamotrigine.

REFCODE	space group	R factor	T / K	Year	Comments
EFEMUX01	C2/c	2.81	at 294 K	2009	10.1107/S0108270109030960
EFEMUX02	C2/1	17.54	at 293 K	2025	Electron diffraction; 10.1107/S1600576725006892

Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.