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2-(4-Meth-oxy-benzyl-idene)-2H-1,3-benzodithiole 1,1,3,3-tetra-oxide.

ABSTRACT: The title compound, C(15)H(12)O(5)S(2), crystallizes with two mol-ecules in the asymmetric unit. In both mol-ecules, the 1,3-benzodithiole plane and the aryl ring of the anisyl group are not quite coplanar; the corresponding dihedral angles are 20.4?(1) and 18.0?(1)°. ?-Stacking [with centroid-centroid distances between 3.5440?(14) and 3.8421?(14)?Å] takes place along [100] between the alternating benzodithiole benzene rings of symmetrically independent mol-ecules, and also between the anisyl groups of symmetrically related mol-ecules. Furthermore, mol-ecules are linked through C-H?O inter-actions.

SUBMITTER: Asahara H

PROVIDER: S-EPMC3297295 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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2-(4-Meth-oxy-benzyl-idene)-2H-1,3-benzodithiole 1,1,3,3-tetra-oxide.

Asahara Haruyasu H Mayer Peter P Mayr Herbert H

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

The title compound, C(15)H(12)O(5)S(2), crystallizes with two mol-ecules in the asymmetric unit. In both mol-ecules, the 1,3-benzodithiole plane and the aryl ring of the anisyl group are not quite coplanar; the corresponding dihedral angles are 20.4 (1) and 18.0 (1)°. π-Stacking [with centroid-centroid distances between 3.5440 (14) and 3.8421 (14) Å] takes place along [100] between the alternating benzodithiole benzene rings of symmetrically independent mol-ecules, and also between the anisyl gr ...[more]

PMID: 22412485

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