Methyl 7-hydroxy-1,3-di­methyl-2,4-dioxo-1,2,3,4-tetra­hydro­pteridine-6-carboxyl­ate-di­methyl sulfoxide (1/1) forms chains containing O-H⃛O and C-H⃛O hydrogen bonds and aromatic π-π-stacking interactions

Methyl 7-hydroxy-1,3-di­methyl-2,4-dioxo-1,2,3,4-tetra­hydro­pteridine-6-carboxyl­ate-di­methyl sulfoxide (1/1) forms chains containing O-H⃛O and C-H⃛O hydrogen bonds and aromatic π-π-stacking interactions

In the title compound, C11H12N4O5·C2H6OS, the molecular components are linked by a short hydrogen bond with dimensions O⃛O 2.517 (2) Å and O—H⃛O 168°. Paired C—H⃛O hydrogen bonds [C⃛O 3.362 (2) and 3.382 (2) Å; C—H⃛O 157 and 140°] generate cyclic centrosymmetric four‐component aggregates reinforced...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2001-05, Vol.57 (5), p.608-610
Hauptverfasser: Cannon, Debbie, Low, John N., Cobo, Justo, Molina, Sebastián, Nogueras, Manuel, Sánchez, Adolfo, Glidewell, Christopher
Format: Artikel
Sprache:eng
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Zusammenfassung:In the title compound, C11H12N4O5·C2H6OS, the molecular components are linked by a short hydrogen bond with dimensions O⃛O 2.517 (2) Å and O—H⃛O 168°. Paired C—H⃛O hydrogen bonds [C⃛O 3.362 (2) and 3.382 (2) Å; C—H⃛O 157 and 140°] generate cyclic centrosymmetric four‐component aggregates reinforced by aromatic π–π‐stacking interactions, and further C—H⃛O hydrogen bonds [C⃛O 3.472 (3) and 3.521 (2) Å; C—H⃛O 156 and 157°] link these aggregates into chains.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270101003250