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. 2008 Nov 8;64(Pt 12):o2295.
doi: 10.1107/S160053680803609X.

3-Phenyl-1-[2-(3-phenyl-isoquinolin-1-yl)-diselan-yl]isoquinoline

3-Phenyl-1-[2-(3-phenyl-isoquinolin-1-yl)-diselan-yl]isoquinoline

Venkatesha R Hathwar et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The complete molecule of the title compound, C(30)H(20)N(2)Se(2), is generated by a crystallographic inversion centre at the mid-point of the Se-Se bond. The dihedral angle between the isoquinoline-1-selenol group and the phenyl ring is 14.92 (2)°. The herringbone-like packing of the structure is supported by inter-molecular π-π stacking inter-actions with a shortest perpendicular distance between isoquinoline groups of 3.514 Å; the slippage between these ring systems is 0.972 Å, and the distance between the centroids of the six-membered carbon rings is 3.645 (3) Å.

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Figures

Fig. 1.
Fig. 1.
ORTEP diagram of molecule (I) with 50% probability displacement ellipsoids. The diselenide link is formed between Se1 and its symmetry equivalent at (3/4, 1/4, 1).
Fig. 2.
Fig. 2.
The crystal packing diagram of (I). The dotted lines indicate intermolecular π–π aromatic stacking interactions. All H atoms have been omitted for clarity. Cg2 and Cg3 are the centroids of the C4—C9 ring and C10—C15 ring, respectively.

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