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Crystal structure of (S)-5-chloro-N-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phen-yl]oxazolidin-5-yl}meth-yl)thio-phene-2-carboxamide.

ABSTRACT: The asymmetric unit of the crystal of the title compound (common name rivaroxaban), C19H18ClN3O5, contains two rivaroxaban mol-ecules with different conformations; the C-C-N-C torsion angles between the oxazolidine and thio-phene rings are -171.1?(7) and -106.8?(9)° in the two independent mol-ecules. In the crystal, classical N-H?O hydrogen bonds and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular architecture.

SUBMITTER: Shen J

PROVIDER: S-EPMC5778484 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of (S)-5-chloro-N-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phen-yl]oxazolidin-5-yl}meth-yl)thio-phene-2-carboxamide.

Shen Jie J Tang Gu-Ping GP Hu Xiu-Rong XR

Acta crystallographica. Section E, Crystallographic communications 20180101 Pt 1

The asymmetric unit of the crystal of the title compound (common name rivaroxaban), C19H18ClN3O5, contains two rivaroxaban mol-ecules with different conformations; the C-C-N-C torsion angles between the oxazolidine and thio-phene rings are -171.1 (7) and -106.8 (9)° in the two independent mol-ecules. In the crystal, classical N-H⋯O hydrogen bonds and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular architecture. ...[more]

PMID: 29416890

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