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.
“…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.…”
Key indicatorsSingle-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.026 wR factor = 0.045 Data-to-parameter ratio = 10.1 For details of how these key indicators were automatically derived from the article, see
“…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.…”
Key indicatorsSingle-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.026 wR factor = 0.045 Data-to-parameter ratio = 10.1 For details of how these key indicators were automatically derived from the article, see
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