Benzo[ a ][1,4]benzothia-zino[3,2- c ]phenothia-zine

• Published in: IUCrData Vol. 9; no. Pt 4; p. x240357
• Main Authors: Bader, Mamoun M, Pham, Phuong-Truc T, Abu Khodair, Salma S, Saleh, Maysoon I
• Format: Journal Article
• Language: English
• Published: England International Union of Crystallography 01-04-2024
• Subjects: Data Reports; donor/acceptor; crystal structure; organic semiconductors; ladder oligomers; dyes; fused heterocyclic aromatics
• ISSN: 2414-3146
• DOI: 10.1107/S2414314624003572

The title compound, C
H
N
S
, crystallizes in space group
2
/
with four mol-ecules in the asymmetric unit. The heterocyclic mol-ecule is quasi-planar with a dihedral angle between the phenyl rings on the periphery of the mol-ecule of 1.73 (19)°. Short H⋯S (2.92 Å) and C-H⋯π [2.836 (3) Å] contacts are observed in the crystal with shorted
-π stacking distances of 3.438 (3) Å along the
axis. Surprisingly, and unlike a closely related material, this mol-ecule readily forms large crystals by sublimation and by slow evaporation from di-chloro-methane. The maximum absorbance in the UV-Vis spectrum is at 533 nm. Emission was measured upon excitation at 533 nm with a fluorescence λ
of 658 nm and cutoff of 900 nm.