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Crystal structures of two polymorphs of tixocortol pivalate.

ABSTRACT: Two polymorphs, (I) and (II), of (S)-{2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihy-droxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca-hydro-1H-cyclo-penta-[a]phenanthren-17-yl]-2-oxoeth-yl} 2,2-di-methyl-propane-thio-ate, C₂₆H₃₈O₅S, have been identified. They are ortho-rhom-bic, non-centrosymmetric (P2₁2₁2₁). The structures display layers of mol-ecules conected via O-H⋯O hydrogen bonds along the b-axis direction in polymorph (I) and along the c-axis direction in polymorph (II). The structure of (II) exhibits disorder of the main mol-ecule.

SUBMITTER: Rousselin Y

PROVIDER: S-EPMC8340970 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature

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Crystal structures of two polymorphs of tixocortol pivalate.

Rousselin Yoann Y Yolka Sylvie S Clavel Alexandre A

Acta crystallographica. Section E, Crystallographic communications 20210716 Pt 8

Two polymorphs, (I) and (II), of (S)-{2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihy-droxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca-hydro-1H-cyclo-penta-[a]phenanthren-17-yl]-2-oxoeth-yl} 2,2-di-methyl-propane-thio-ate, C26H38O5S, have been identified. They are ortho-rhom-bic, non-centrosymmetric (P212121). The structures display layers ...[more]

PMID: 34422306

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