Chloroform

(Last updated April 2026)

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Figure . The molecular diagram of chloroform.

CSP studies

REFCODE	CLFORM
Formula	C1 H1 Cl3
Common Name	Chloroform
IUPAC Systematic Name	trichloromethane
Other Names
CSD Refcodes	CLFORM02, CLFORM03

Search Identifier	A
Scientist	Not sure
Date	pre-2010
Publication	No publication planned.
Energy model	1
Study_ID	2
Programs	MOLPAK, DMACRYS (2.0.1)
Location on S Drive	\\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Chloroform_aniso
Potential Description	MP2 6-31G(d,p) DMA+ANISO (c.f. GMD)
Intramolecular Description	MP2 6-31G(d,p)

Search Identifier	B
Scientist	Not sure
Date	pre-2010
Publication	No publication planned.
Energy model	1
Study_ID	1
Programs	MOLPAK, DMACRYS (2.0.1)
Location on S Drive	\\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Chloroform_charges
Potential Description	MP2 6-31G(d,p) Charges+ FIT
Intramolecular Description	MP2 6-31G(d,p)

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Figure . Crystal energy landscape of chloroform from previous work.

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

REFCODE	space group	Z’	a / Å	b / Å	c / Å	α / °	β / °	γ / °	density / g cm^-3	Form
CLFORM	Pnma	0.5	7.485	9.497	5.841	90.0	90.0	90.0	1.9097	alpha polymorph
CLFORM01	Pnma	0.5	7.4081	9.40340	5.75400	90.0	90.0	90.0	1.9782	alpha polymorph
CLFORM02	P63	0.33	5.8868	5.8868	6.65410	90.0	90.0	120	1.9852	beta polymorph
CLFORM03	Pnma	0.5	7.44220	9.4578	5.8025	90.0	90.0	90.0	1.9414	alpha polymorph

Table . Experimental information for CSD entries for chloroform.

REFCODE	space group	R factor	T / K	Year	Comments
CLFORM	Pnma	11.0	at 185 K	1966	None
CLFORM01	Pnma	3.550	at 293 K	2008	10.1021/jp8020134
CLFORM02	P63	2.95	at 295 K	2008	10.1021/jp8020134
CLFORM03	Pnma	1.72	at 120 K	2010	10.1039/b914851e

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