2001
DOI: 10.1107/s0108270101003250
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Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate–dimethyl sulfoxide (1/1) forms chains containing O—H...O and C—H...O hydrogen bonds and aromatic π–π-stacking interactions

Abstract: In the title compound, C11H12N4O5-C2H6OS, the molecular components are linked by a short hydrogen bond with dimensions O...O 2.517 (2) A and O-H...O 168 degrees. Paired C-H...O hydrogen bonds [C...O 3.362 (2) and 3.382 (2) A; C-H...O 157 and 140 degrees] generate cyclic centrosymmetric four-component aggregates reinforced by aromatic pi-pi-stacking interactions, and further C-H...O hydrogen bonds [C.O 3.472 (3) and 3.521 (2) A; C-H...O 156 and 157 degrees] link these aggregates into chains.

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“…The carboxylate group is also planar and twisted by 26.43 (8) out of the plane of the pyrazole ring. The O1 C4 and O2ÐC4 bond lengths are 1.1986 (15) and 1.3248 (15) A Ê , respectively, in good agreement with those previously found for the carboxylate group (Cannon et al, 2001). Fig.…”
Section: Commentsupporting
confidence: 89%
“…The carboxylate group is also planar and twisted by 26.43 (8) out of the plane of the pyrazole ring. The O1 C4 and O2ÐC4 bond lengths are 1.1986 (15) and 1.3248 (15) A Ê , respectively, in good agreement with those previously found for the carboxylate group (Cannon et al, 2001). Fig.…”
Section: Commentsupporting
confidence: 89%