Beiträge zur Chemie des Schwefels. 115. Kristall- und MolekülStruktur von Benzopentathiepin

Contributions to the Chemistry of Sulfur. 115. Crystal and Molecular Structure of Benzopentathiepine The structure of benzopentathiepine has been determined from three-dimensional single-crystal X-ray data. The crystal are monoclinic, space group P2₁/c, with 4 molecules in the unit cell of dimensions a = 6.942(4) Å, b = 10.223(10) Å, c = 13.015(8) Å, β = 102,15(10)°. The conformation of the seven-membered ring is the chair form. Details of the conformation are discussed. Bond distances, bond angles, and dihedral angles are compared with those in other molecules, which have similar structure.