(+)-(1S,5R,6R)-6-[(S)-1-Hydroxy-2-(methoxymethyloxy)ethyl] -1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one

Takeshi Oishi, Hiroki Oishi, Syun Tsuzaki, Takaaki Satou, Noritaka Chida

Research output: Contribution to journalArticle

Abstract

In the title compound, C11H14Cl3NO6, the fused five-membered oxazoline and tetrahydrofuran rings are essentially planar with maximum deviations of 0.069(1) and 0.031(1)Å, respectively, and make a dihedral angle of 64.23(11)°with each other. In the crystal, molecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming chains along the b-axis direction. Further C-H⋯O hydrogen bonds are observed between the chains.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number11
DOIs
Publication statusPublished - 2012 Nov

Fingerprint

Hydrogen bonds
hydrogen bonds
Dihedral angle
tetrahydrofuran
dihedral angle
deviation
Crystals
Molecules
rings
crystals
molecules
Direction compound

Keywords

  • data-to-parameter ratio = 12.2
  • mean ̄(C-C) = 0.003 Å
  • R factor = 0.027
  • single-crystal X-ray study
  • T = 90 K
  • wR factor = 0.069

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

@article{210031fd37ac44409356d0163a095214,
title = "(+)-(1S,5R,6R)-6-[(S)-1-Hydroxy-2-(methoxymethyloxy)ethyl] -1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one",
abstract = "In the title compound, C11H14Cl3NO6, the fused five-membered oxazoline and tetrahydrofuran rings are essentially planar with maximum deviations of 0.069(1) and 0.031(1){\AA}, respectively, and make a dihedral angle of 64.23(11)°with each other. In the crystal, molecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming chains along the b-axis direction. Further C-H⋯O hydrogen bonds are observed between the chains.",
keywords = "data-to-parameter ratio = 12.2, mean ̄(C-C) = 0.003 {\AA}, R factor = 0.027, single-crystal X-ray study, T = 90 K, wR factor = 0.069",
author = "Takeshi Oishi and Hiroki Oishi and Syun Tsuzaki and Takaaki Satou and Noritaka Chida",
year = "2012",
month = "11",
doi = "10.1107/S1600536812042912",
language = "English",
volume = "68",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",
number = "11",

}

TY - JOUR

T1 - (+)-(1S,5R,6R)-6-[(S)-1-Hydroxy-2-(methoxymethyloxy)ethyl] -1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one

AU - Oishi, Takeshi

AU - Oishi, Hiroki

AU - Tsuzaki, Syun

AU - Satou, Takaaki

AU - Chida, Noritaka

PY - 2012/11

Y1 - 2012/11

N2 - In the title compound, C11H14Cl3NO6, the fused five-membered oxazoline and tetrahydrofuran rings are essentially planar with maximum deviations of 0.069(1) and 0.031(1)Å, respectively, and make a dihedral angle of 64.23(11)°with each other. In the crystal, molecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming chains along the b-axis direction. Further C-H⋯O hydrogen bonds are observed between the chains.

AB - In the title compound, C11H14Cl3NO6, the fused five-membered oxazoline and tetrahydrofuran rings are essentially planar with maximum deviations of 0.069(1) and 0.031(1)Å, respectively, and make a dihedral angle of 64.23(11)°with each other. In the crystal, molecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming chains along the b-axis direction. Further C-H⋯O hydrogen bonds are observed between the chains.

KW - data-to-parameter ratio = 12.2

KW - mean ̄(C-C) = 0.003 Å

KW - R factor = 0.027

KW - single-crystal X-ray study

KW - T = 90 K

KW - wR factor = 0.069

UR - http://www.scopus.com/inward/record.url?scp=84870948803&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84870948803&partnerID=8YFLogxK

U2 - 10.1107/S1600536812042912

DO - 10.1107/S1600536812042912

M3 - Article

C2 - 23284496

AN - SCOPUS:84870948803

VL - 68

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 11

ER -