Crystal and molecular structure of the smectogenic compound di-n-propyl-p-terphenyl-4,4?-carboxylate

Autor:	Richard E. Carpenter, John W. Reed, Adriaan De Vries, Glenn H. Brown, David B. Chung
Rok vydání:	1978
Předmět:	General Chemistry Crystal structure Triclinic crystal system Condensed Matter Physics Crystal chemistry.chemical_compound Crystallography symbols.namesake Fourier transform chemistry Structural Biology Terphenyl symbols Molecule Carboxylate Spectroscopy Organometallic chemistry
Zdroj:	Journal of Crystal and Molecular Structure. 8:81-92
ISSN:	1572-8854 0308-4086
DOI:	10.1007/bf01371519
Popis:	An X-ray crystallographic study of di-n-propyl-p-terphenyl-4,4″-carboxylate (DPTC) showed that the crystals belong to the triclinic system with space groupP¯1,a=22.191(14),b=5.960(1),c=10.951(4) A, α=129.651(16), β=102.560(51), and γ=83.103(39) ° with two molecules per unit cell. The crystal structure was solved by Patterson synthesis, Fourier, and difference Fourier calculations. It was refined by block-diagonal and full-matrix least-squares methods to a finalR factor of 0.17. The molecules form a herringbone type of packing in tilted layers. Each of the two molecules is nonplanar in itself and shows highly anisotropic behavior of the end groups.
Databáze:	OpenAIRE
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