The Crystal and Molecular Structure of Dipipanone Hydrochloride Hydrate.
- 1 January 1981
- journal article
- research article
- Published by Danish Chemical Society in Acta Chemica Scandinavica
- Vol. 35b (9) , 613-619
- https://doi.org/10.3891/acta.chem.scand.35b-0613
Abstract
A number of methadone-related substances have been studied by X-ray crystallographic methods to define the structural characteristics that are associated with their biological activity. The crystal and molecular structure of the opiate agonist 3-oxo-4,4-diphenyl-6-piperidylheptane was determined by X-ray crystallographic methods using 4057 reflections observed by counter methods. The crystals are triclinic, space group P.hivin.1 with unit cell dimensions a = 8.922(2) .ANG., b = 9.029(1) .ANG., c = 15.444(2) .ANG., .alpha. = 97.70(1).degree., .beta. = 100.74(1).degree., .gamma. =109.63(1).degree.. The structure was refined to a conventional R-factor of 0.057. Estimated SD are 0.004 .ANG. and 0.2.degree. in interatomic distances and angles when hydrogen atoms are not involved. Spatial features common to opiate type analgesics is discussed in relationship to the receptor.Keywords
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