Zeitschrift für Kristallographie - New Crystal Structures (Apr 2023)

The crystal structure of 3,4-dihydroxybenzoic acid – 3-[7-{[2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol – water (1/1/1), C30H36F2N6O9S

  • Xia Ying-Fan,
  • Lu Rong-Bin,
  • Sun Wei-Jie,
  • Lin Shu-Ting,
  • Zhang Jia-Rong,
  • Jiang Cheng-Jun

DOI
https://doi.org/10.1515/ncrs-2022-0572
Journal volume & issue
Vol. 238, no. 2
pp. 331 – 333

Abstract

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C30H36F2N6O9S, orthorhombic, P212121 (no. 19), a = 5.2364(8) Å, b = 10.0250(14) Å, c = 59.689(9) Å, V = 3133.4(8) Å3, Z = 4, Rgt(F) = 0.0384, wRref(F2) = 0.0969, T = 170 K.

Keywords