Abstract

In the mol­ecule of the title compound, C21H22N4O6S, the planar central heterocyclic ring system is oriented with respect to the trimethoxy­phenyl rings at dihedral angles of 2.60 (5) and 3.60 (6)°. Intra­molecular C—H⋯N and C—H⋯S hydrogen bonds result in the formation of planar five- and six-membered rings. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules. There is a C—H⋯π contact between a methyl group and a trimethoxy­phenyl ring, and a π–π contact between the central heterocyclic ring system and a trimethoxy­phenyl ring [centroid–centroid distance = 3.640 (1) Å].

Highlights

  • In the molecule of the title compound, C21H22N4O6S, the planar central heterocyclic ring system is oriented with respect to the trimethoxyphenyl rings at dihedral angles of 2.60 (5) and 3.60 (6)

  • Intramolecular C—HÁ Á ÁN and C—HÁ Á ÁS hydrogen bonds result in the formation of planar five- and six-membered rings

  • Cg3 is the centroid of the trimethoxyphenyl ring C1–C6

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Summary

Data collection

Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005) Tmin = 0.957, Tmax = 0.980. In the molecule of the title compound, C21H22N4O6S, the planar central heterocyclic ring system is oriented with respect to the trimethoxyphenyl rings at dihedral angles of 2.60 (5) and 3.60 (6). Intramolecular C—HÁ Á ÁN and C—HÁ Á ÁS hydrogen bonds result in the formation of planar five- and six-membered rings. Intermolecular C—HÁ Á ÁO hydrogen bonds link the molecules. There is a C— HÁ Á Á contact between a methyl group and a trimethoxyphenyl ring, and a – contact between the central heterocyclic ring system and a trimethoxyphenyl ring [centroid–centroid distance = 3.640 (1) A ]

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