Propenal

(Last updated March 2026)

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Figure . The molecular diagram of Propenal.

CSP studies

REFCODE	AXOSOW
Formula	C3 H4 O1
Common Name	Propenal
IUPAC Systematic Name	Propenal
Other Names
CSD Refcodes	AXOSOW

Search Identifier	A
Scientist	Unknown
Date	2008
Publication	Day GM, 2009. Acta Crystallogr , Sect B 65, 107-125. DOI: Open paper (10.1107/S0108768109004066)
Energy model	1
Study_ID	0
Programs	MOLPAK, DMAREL (4.1.1)
Location on S Drive	\\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\BlindTestXII\\fit
Potential Description	DMA + FIT
Intramolecular Description	MP2/6-31G(d,p)

Search Identifier	B
Scientist	Unknown
Date	2008
Publication	See Study_ID=0
Energy model	1
Study_ID	1
Programs	MOLPAK, DMAREL (4.3.6)
Location on S Drive	\\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\BlindTestXII\\williams
Potential Description	DMA + Williams99
Intramolecular Description	MP2/6-31G(d,p)

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Figure . Crystal energy landscape of Propenal from previous work.

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

REFCODE	space group	Z’	a / Å	b / Å	c / Å	α / °	β / °	γ / °	density / g cm^-3	Form
AXOSOW	Pbca	1.0	7.134	9.694	9.93	90.0	90.0	90.0	1.0845	None
AXOSOW01	Pbca	1.0	6.97	9.514	9.752	90.0	90.0	90.0	1.1516	None
AXOSOW03	Pbca	1.0	6.97	9.514	9.752	90.0	90.0	90.0	1.1516	None

Table . Experimental information for CSD entries for Propenal.

REFCODE	space group	R factor	T / K	Year	Comments
AXOSOW	Pbca	3.5	at 133 K	2011	10.1039/c0cp02236e
AXOSOW01	Pbca	4.47	150 K	2009	10.1107/S0108768109004066
AXOSOW03	Pbca	4.47	150 K	2015	None

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