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Dimethyl 2,2'-[butane-1,4-diylbis(sul-fanediyl)]dibenzoate.

ABSTRACT: The title compound, C(20)H(22)O(4)S(2), was synthesized by the reaction of 1,4-dibromo-butene with methyl thio-salicylate. The aliphatic segment of this ligand is in an all-trans conformation. The bridging chain, -S-(CH(2))(4)-S-, is almost planar (r.m.s. deviation for all non-H atoms: 0.056?Å) and its mean plane forms dihedral angles of 16.60?(7) and 5.80?(2)° with the aromatic rings. In the crystal, the mol-ecules are linked by weak C-H?O inter-actions into chains with graph-set notation C(14) along [0 0 1]. The crystal studied was a racemic twin, the ratio of the twin components being 0.27?(9):0.73?(9).

SUBMITTER: Brito I

PROVIDER: S-EPMC2971371 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Dimethyl 2,2'-[butane-1,4-diylbis(sul-fanediyl)]dibenzoate.

Brito Iván I Cárdenas Alejandro A Albanez Joselyn J Bolte Michael M López-Rodríguez Matías M

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

The title compound, C(20)H(22)O(4)S(2), was synthesized by the reaction of 1,4-dibromo-butene with methyl thio-salicylate. The aliphatic segment of this ligand is in an all-trans conformation. The bridging chain, -S-(CH(2))(4)-S-, is almost planar (r.m.s. deviation for all non-H atoms: 0.056 Å) and its mean plane forms dihedral angles of 16.60 (7) and 5.80 (2)° with the aromatic rings. In the crystal, the mol-ecules are linked by weak C-H⋯O inter-actions into chains with graph-set notation C(14) ...[more]

PMID: 21578419

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