Hydantoin (Blind Test VIII)

(Last updated March 2026)

Embedded image

Figure . The molecular diagram of Hydantoin.

CSP studies

REFCODEPAHYON
FormulaC3 H4 N2 O2
Common NameHydantoin
IUPAC Systematic NameImidazolidine-2,4-dione
Other NamesBlind Test 8
CSD RefcodesPAHYON01
Search IdentifierA
ScientistTom Lewis
Date2005
PublicationDay GM et al, Acta Cryst. B 2005, 61 (5), 511-527 DOI: Open paper (10.1107/S0108768105016563)
Energy model1
Study_ID0
ProgramsMolpak, DMAREL (3.0)
Location on S Drive\\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\hydantoin
Potential DescriptionDMA + FIT
Intramolecular DescriptionAb initio MP2

Embedded image

Figure . Crystal energy landscape of Hydantoin from previous work.

CSD structures (CSD version 6.01)

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

REFCODEspace groupZ’a / Åb / Åc / Åα / °β / °γ / °density / g cm-3Form
PAHYONC2/c1.09.353812.17577.228690.0104.59390.01.6686None
PAHYON01C2/c1.09.353812.17577.228690.0104.59390.01.6686None
PAHYON02C2/c1.09.3990012.2427.37590.0105.20590.01.6234None
PAHYON04C2/c1.09.344612.2447.3458090.0105.19490.01.6390None

Table . Experimental information for CSD entries for Hydantoin.

REFCODEspace groupR factorT / KYearComments
PAHYONC2/c6.11at 190 K200410.1107/S0108270104017706
PAHYON01C2/c6.11at 190 K200510.1107/S0108768105016563
PAHYON02C2/c12.01299.1 K2019None
PAHYON04C2/c5.46293 K202010.1039/D0MH00688B

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

Other notes

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