Crystallization and X‐ray structure of 3,3’,4‐trichlorobiphenyl (PCB 35)∗
- 1 July 1990
- journal article
- research article
- Published by Taylor & Francis in Toxicological & Environmental Chemistry
- Vol. 28 (2-3) , 121-127
- https://doi.org/10.1080/02772249009357596
Abstract
A method for the preparation of single crystals of PCB 35 suitable for single crystal X‐ray structure determination was developed. This method has already been proven suitable for 2,4'‐dichlorobiphenyl and may prove useful for other PCBs or related compounds. The crystals of PCB 35 are orthorhombic, spacegroup P21221 (a= 10.665(8), 6 = 3.825(3), c= 14.086(9) Å) and the structure was refined to R = 0.094 for 156 unique observed reflections and 43 parameters. Although the crystals were of poor quality, the structure determination unequivocally confirmed the substitution pattern of the biphenyl moiety by Cl atoms inferred previously from spectroscopic methods. The dihedral angle between the planes of the two phenyl rings is 33(2)°.Keywords
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