Experimental and theoretical charge-density analysis of 1,4-bis(5-hexyl-2-thienyl)butane-1,4-dione: applications of a virtual-atom model

Ahmed, M.; Nassour, A.; Noureen, S.; Lecomte, C.; Jelsch, C.

doi:10.1107/S2052520615019083

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 7
Auto-stereogram view (Katrusiak, 2001

) of the displacement ellipsoids of the asymmetric unit of the title compound at a 50% probability level. The b axis is horizontal towards the left. The two molecules are related by b-axis translation and the C8—H8⋯O1 hydrogen bond is shown. The view is generated with the program MoProViewer (Guillot, 2011

). The blue sphere denotes the inversion centre of the molecule, where a symmetric atom C12A forms a covalent bond with C12.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 72| Part 1| January 2016| Pages 75-86

doi:10.1107/S2052520615019083

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