Abstract
In the title molecule, C15H18N2OS, a small twist is noted, with the dihedral angle between the central carbohydrazone residue (r.m.s. deviation = 0.029 Å) and the thiophene ring being 12.47 (10)°. The syn arrangement of the amide H and carbonyl O atoms allows for the formation of centrosymmetric dimers via N—H⋯O hydrogen bonds. These are linked in the three-dimensional structure by C—H⋯π interactions. The thiophene ring is disordered over two co-planar orientations, the major component having a site-occupancy factor of 0.833 (2).
Highlights
In the title molecule, C15H18N2OS, a small twist is noted, with the dihedral angle between the central carbohydrazone residue (r.m.s. deviation = 0.029 Å) and the thiophene ring being 12.47 (10)
H atoms treated by a mixture of independent and constrained refinement max = 0.38 e Å3
The syn arrangement of the amide H and carbonyl O atoms allows for the formation of centrosymmetric dimers via N—H O hydrogen bonds
Summary
Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.002 Å; disorder in main residue; R factor = 0.032; wR factor = 0.087; data-to-parameter ratio = 15.1. C15H18N2OS, a small twist is noted, with the dihedral angle between the central carbohydrazone residue (r.m.s. deviation = 0.029 Å) and the thiophene ring being 12.47 (10). The syn arrangement of the amide H and carbonyl O atoms allows for the formation of centrosymmetric dimers via N—H O hydrogen bonds. These are linked in the three-dimensional structure by C—H interactions. The thiophene ring is disordered over two co-planar orientations, the major component having a site-occupancy factor of. Data collection: CrysAlis PRO (Agilent, 2010); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010)
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