3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydroxyindolin-2-one monohydrate
Identifieur interne : 002825 ( Main/Curation ); précédent : 002824; suivant : 0028263-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydroxyindolin-2-one monohydrate
Auteurs : Narsimha Reddy Penthala [États-Unis] ; Thirupathi Reddy Yerram Reddy [États-Unis] ; Sean Parkin [États-Unis] ; Peter A. Crooks [États-Unis]Source :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2009.
Abstract
Two chiral centres exist in the title compound, C12H12N4O3·H2O. Molecules are linked into chains by series of intermolecular N—H⋯O and O—H⋯N hydrogen bonds, which causes supramolecular aggregation. Two chiral centres are formed in the title compound. The indole and creatinine moieties make a dihedral angle of 56.75 (4)°. The crystal structure of the compound indicates the presence of equimolar enantiomers (
Url:
DOI: 10.1107/S1600536809004875
PubMed: 21582211
PubMed Central: 2968573
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PMC:2968573Le document en format XML
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1<italic>H</italic>
-imidazol-5-yl)-3-hydroxyindolin-2-one monohydrate</title>
<author><name sortKey="Penthala, Narsimha Reddy" sort="Penthala, Narsimha Reddy" uniqKey="Penthala N" first="Narsimha Reddy" last="Penthala">Narsimha Reddy Penthala</name>
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<front><div type="abstract" xml:lang="en"><p>Two chiral centres exist in the title compound, C<sub>12</sub>
H<sub>12</sub>
N<sub>4</sub>
O<sub>3</sub>
·H<sub>2</sub>
O. Molecules are linked into chains by series of intermolecular N—H⋯O and O—H⋯N hydrogen bonds, which causes supramolecular aggregation. Two chiral centres are formed in the title compound. The indole and creatinine moieties make a dihedral angle of 56.75 (4)°. The crystal structure of the compound indicates the presence of equimolar enantiomers (<italic>RR</italic>
and <italic>SS</italic>
) in the crystal structure.</p>
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