Abstract
The molecule of the title Schiff base compound, C7H8N2OS2, prepared by the reaction of methyl dithiocarbazate and furfural in an ethanol solution under reflux, adopts an E configuration; the dithiocarbazate and furan units are located on opposite sides of the C=N double bond. The planar dithiocarbazate group is twisted slightly with respect to the furan ring, making a dihedral angle of 5.2 (1)°. Adjacent molecules are linked by N—H⋯S hydrogen bonding to form a supramolecular dimer across an inversion center.
Highlights
The molecule of the title Schiff base compound, C7H8N2OS2, prepared by the reaction of methyl dithiocarbazate and furfural in an ethanol solution under reflux, adopts an E configuration; the dithiocarbazate and furan units are located on opposite sides of the C N double bond
Adjacent molecules are linked by N—HÁ Á ÁS hydrogen bonding to form a supramolecular dimer across an inversion center
N2—C3—C4—C5 N2—C3—C4—O1 O1—C4—C5—C6 C3—C4—C5—C6 C4—C5—C6—C7 C5—C6—C7—O1 C4—O1—C7—C6
Summary
Key indicators: single-crystal X-ray study; T = 294 K; mean (C–C) = 0.003 A; R factor = 0.032; wR factor = 0.097; data-to-parameter ratio = 14.6. The molecule of the title Schiff base compound, C7H8N2OS2, prepared by the reaction of methyl dithiocarbazate and furfural in an ethanol solution under reflux, adopts an E configuration; the dithiocarbazate and furan units are located on opposite sides of the C N double bond. The planar dithiocarbazate group is twisted slightly with respect to the furan ring, making a dihedral angle of 5.2 (1). Adjacent molecules are linked by N—HÁ Á ÁS hydrogen bonding to form a supramolecular dimer across an inversion center. Related literature For general background, see: Okabe et al (1993); Shan et al (2002, 2003). See: Chen et al (2007). See: Hu et al (2001)
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