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2,9-Di-3-pentyl-anthra[1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone.

ABSTRACT: The asymmetric unit of the title compound, C(34)H(30)N(2)O(4), contains four independent half-mol-ecules, the complete mol-ecules being generated by inversion symmetry. The mol-ecules each have planar (within 4σ) perylene-tetra-carb-oxy-lic diimide fragments with bent side chains. In one of the independent mol-ecules, each 3-pentyl fragment is disordered over two conformations in a 7:3 ratio. In the crystal, π-π inter-actions link mol-ecules into stacks propagated in [010]. The crystal packing also exhibits weak inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Maniukiewicz W

PROVIDER: S-EPMC2983203 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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2,9-Di-3-pentyl-anthra[1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone.

Maniukiewicz Waldemar W Bojarska Joanna J Olczak Andrzej A Dobruchowska Ewa E Wiatrowski Michał M

Acta crystallographica. Section E, Structure reports online 20100915 Pt 10

The asymmetric unit of the title compound, C(34)H(30)N(2)O(4), contains four independent half-mol-ecules, the complete mol-ecules being generated by inversion symmetry. The mol-ecules each have planar (within 4σ) perylene-tetra-carb-oxy-lic diimide fragments with bent side chains. In one of the independent mol-ecules, each 3-pentyl fragment is disordered over two conformations in a 7:3 ratio. In the crystal, π-π inter-actions link mol-ecules into stacks propagated in [010]. The crystal packing a ...[more]

PMID: 21587555

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