Abstract
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) Å, 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.
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Chung, D.B., Carpenter, R.E., de Vries, A. et al. Crystal and molecular structure of the smectogenic compound di-n-propyl-p-terphenyl-4,4″-carboxylate. Journal of Crystal and Molecular Structure 8, 81–92 (1978). https://doi.org/10.1007/BF01371519
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DOI: https://doi.org/10.1007/BF01371519