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[(2R,3S,6S)-3-Acet-yloxy-6-(1-phenyl-1H-1,2,3-triazol-4-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

ABSTRACT: In the title compound, C(18)H(19)N(3)O(5), the 3,6-dihydro-2H-pyran ring adopts a half-chair, distorted towards a half-boat, conformation with Q(T) = 0.5276(14)?Å. The benzene ring is twisted out of the place of the triazole ring [dihedral angle = 23.54?(8)°]. In the crystal, supra-molecular layers in the ac plane are formed through C-H?O and C-H??(triazole) inter-actions. These stack along the b axis being connected by C-H?N contacts.

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC3201326 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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[(2R,3S,6S)-3-Acet-yloxy-6-(1-phenyl-1H-1,2,3-triazol-4-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Zukerman-Schpector Julio J Stefani Hélio A HA Silva Nathalia C S NC Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the title compound, C(18)H(19)N(3)O(5), the 3,6-dihydro-2H-pyran ring adopts a half-chair, distorted towards a half-boat, conformation with Q(T) = 0.5276(14) Å. The benzene ring is twisted out of the place of the triazole ring [dihedral angle = 23.54 (8)°]. In the crystal, supra-molecular layers in the ac plane are formed through C-H⋯O and C-H⋯π(triazole) inter-actions. These stack along the b axis being connected by C-H⋯N contacts. ...[more]

PMID: 22065651

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