Conformation and packing of odd-numbered α-oligothiophenes in single crystals

Bulletin of the Chemical Society of Japan

Volumn 76, Issue 8, 2003, Pages 1561-1567

  Azumi, Reiko ^a   Goto, Midori ^a   Honda, Kazumasa ^a   Matsumoto, Mutsuyoshi ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; OLIGOMERS; SUBLIMATION; X RAY DIFFRACTION;

MOLECULAR ARRANGEMENTS;

SINGLE CRYSTALS;

ALPHA OLIGOTHIOPHENE; QUINQUETHIOPHENE; SEPTITHIOPHENE; TERTHIOPHENE; THIOPHENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATION; CRYSTAL; GEOMETRY; MOLECULE; TORSION; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

EID: 0042818222     PISSN: 00092673     EISSN: None     Source Type: Journal    
DOI: 10.1246/bcsj.76.1561     Document Type: Article

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29. The packing diagrams of α-6T (low-temperature polymorph) and 8T are reproduced using the atomic coordination parameters reported in Refs. 11 and 13, respectively.
30. As crystals shrink with decreasing the temperature, the value of calculated density for 7T obtained by the measurements at room temperature was employed for the comparison with those for the other oligomers.
31. Since estimated values of crystal densities depend on the condition of X-ray measurements, precise comparison of the density values of the crystals measured with different diffractometers is not appropriate. The smaller values of the calculated densities of odd-numbered oligothiophenes reported here are nevertheless significant even considering the above problem.
32. We also examined the set of lattice constants with duplicated value of c-axis (ca. 38 Å). The trial, however, did not fit well the observed diffraction: all the (00l) (l = 2n + 1) reflections are null.