Literature DB >> 21321700

One of the most complex "small molecule structures" ever reported: 16 independent molecules in the asymmetric unit for an ortho-palladated primary amine.

Beatrice Braun1, Irmgard Kalf, Ulli Englert.   

Abstract

The presumably "small molecule structure" of the organopalladium complex rac-PdCl(C(6)H(3)-4-OMe-CHMeNH(2))(py) crystallizes with 16 molecules in the asymmetric unit, a highly unusual situation according to the CSD database. The symmetrically independent residues differ with respect to soft conformational degrees of freedom. Packing in the acetonitrile solvate of the same compound is unexceptional.

Entities:  

Year:  2011        PMID: 21321700     DOI: 10.1039/c0cc05208f

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  1 in total

1.  Modelling of crystal structure of cis-1,2,3,6 and 3,4,5,6-tetrahydrophthalic anhydrides using lattice energy calculations.

Authors:  A Ben Fredj; G M Day
Journal:  J Mol Model       Date:  2015-07-30       Impact factor: 1.810

  1 in total

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