Date of Publication

3-1997

Document Type

Master's Thesis

Degree Name

Master of Science in Chemistry

Subject Categories

Chemistry

College

College of Science

Department/Unit

Chemistry

Thesis Adviser

Wyona C. Patalinghug

Defense Panel Chair

Gerardo C. Janairo

Defense Panel Member

Julita C. Robles
Angelica R. Martinez

Abstract/Summary

The structure of 2,3-benzylidene-1,6-anhydro-B-D-mannopyranoside (C13H14O5), an intermediate in the preparationof a macrocycle containing B-D-mannose and tetrathiafulvalene units, was determined from single crystal X-ray diffraction and refinement. The molecule had crystallized in a monoclinic P21 space group and a unit cell dimensions and a=6.3308(4) A,b=7.0622(8)A,c=13.0160(8)A,B=96.417(4)',V=578.29 A3,Z=2,Dc=1.437 g cm-3 and u (MoKa)=0.11 mm-1. The crystal structure was solved by direct methods with 1292 observed reflections. Refinement by least squares methods gave a final wR2 factor of 0.0699 and a final R factor of 0.0246. The molecules in the lattice are stacked along the b-axis and are held by strong H-bonding forces with intermolecular close contact (O-H...O) = 1.996(5) A. All crystallographic measurements were made using a Siemens P4 single crystal X-ray diffractometer.

Abstract Format

html

Language

English

Format

Electronic

Accession Number

TG02618

Shelf Location

Archives, The Learning Commons, 12F Henry Sy Sr. Hall

Physical Description

44 leaves

Keywords

Crystals; X-rays--Diffraction; Crystallography; Solution (Chemistry); Mixtures

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