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Powder X-ray investigation of 4,4'-diisocyano-3,3'-dimethyl-biphen-yl.

ABSTRACT: The title compound, C16H12N2, was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The mol-ecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C-H?C N hydrogen-bond-like contacts, which lead to the formation of a three-dimensional network. Further stabilization of the crystal structure is achived by weak non-covalent ?-? inter-actions between aromatic rings, with a centroid-centroid distance of 3.839?(8)?Å.

SUBMITTER: Rukiah M 

PROVIDER: S-EPMC3588545 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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Powder X-ray investigation of 4,4'-diisocyano-3,3'-dimethyl-biphen-yl.

Rukiah Mwaffak M   Al-Ktaifani Mahmoud M  

Acta crystallographica. Section E, Structure reports online 20130220 Pt 3

The title compound, C16H12N2, was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The mol-ecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C-H⋯C N hydrogen-bond-like contacts, which lead to the formation of a three-dimensional network. Further stabilization of the crystal structure is achived by weak non-covalent π-π inter-actions between aromatic rings, with a cen  ...[more]

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