<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>68(Pt 11)</volume><submitter>Molokoane PP</submitter><pubmed_abstract>The title compound, C(10)H(15)NO(2), crystallized with three mol-ecules in the asymmetric unit. These three mol-ecules are quite similar except for slight differences in the torsion angles of the substituents on the ring. The isopropyl C-C-N-C torsion angles (towards the carbon next to the ethyl bound carbon), for example, are -150.63?(11), -126.77?(13) and -138.76?(11)° for mol-ecules A, B and C, respectively, and the C-C-C-N torsion angles involving the ethyl C atoms are 102.90?(13), 87.81?(14) and 86.47?(13)°. The main difference between the three mol-ecules lies in the way they are arranged in the solid-state structure. All three mol-ecules form dimers that are connected through strong O-H?O hydrogen bonds with R(2) (2)(10) graph-set motifs. The symmetry of the dimers formed does however differ between mol-ecules. Mol-ecules B connect with each other to form inversion dimers. Mol-ecules A and C, on the other hand, form dimers with local twofold symmetry, but the two mol-ecules are crystallographically distinct. The B and C molecules are linked to themselves and to each other via C-H?O hydrogen bonds. This results in the formation of a three-dimensional network structure.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o3235-6</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3515315</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>2-Ethyl-3-hy-droxy-1-isopropyl-4-pyridone.</pubmed_title><pmcid>PMC3515315</pmcid><pubmed_authors>Steyl G</pubmed_authors><pubmed_authors>Molokoane PP</pubmed_authors><pubmed_authors>Schutte M</pubmed_authors></additional><is_claimable>false</is_claimable><name>2-Ethyl-3-hy-droxy-1-isopropyl-4-pyridone.</name><description>The title compound, C(10)H(15)NO(2), crystallized with three mol-ecules in the asymmetric unit. These three mol-ecules are quite similar except for slight differences in the torsion angles of the substituents on the ring. The isopropyl C-C-N-C torsion angles (towards the carbon next to the ethyl bound carbon), for example, are -150.63?(11), -126.77?(13) and -138.76?(11)° for mol-ecules A, B and C, respectively, and the C-C-C-N torsion angles involving the ethyl C atoms are 102.90?(13), 87.81?(14) and 86.47?(13)°. The main difference between the three mol-ecules lies in the way they are arranged in the solid-state structure. All three mol-ecules form dimers that are connected through strong O-H?O hydrogen bonds with R(2) (2)(10) graph-set motifs. The symmetry of the dimers formed does however differ between mol-ecules. Mol-ecules B connect with each other to form inversion dimers. Mol-ecules A and C, on the other hand, form dimers with local twofold symmetry, but the two mol-ecules are crystallographically distinct. The B and C molecules are linked to themselves and to each other via C-H?O hydrogen bonds. This results in the formation of a three-dimensional network structure.</description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Nov</publication><modification>2021-02-21T00:05:03Z</modification><creation>2019-03-27T01:01:30Z</creation></dates><accession>S-EPMC3515315</accession><cross_references><pubmed>23284535</pubmed><doi>10.1107/S1600536812044091</doi></cross_references></HashMap>