Abstract
The new title thiadiazole compound, C14H21N3O2S, was semi-synthesized starting from 1-(4-methylcyclohex-3-enyl)ethanone, a natural product isolated from Cedrus atlantica essential oil. The stereochemistry has been confirmed by single-crystal X-ray diffraction. The thiadiazoline ring is roughly planar, although it may be regarded as having a half-chair conformation. The cyclohexenyl ring has a half-chair conformation. The most interesting feature is the formation of a pseudo-ring formed by four molecules associated through N—H⋯O hydrogen bonds around a fourfold inversion axis, forming an R 4 4(28) motif.
Highlights
The new title thiadiazole compound, C14H21N3O2S, was semisynthesized starting from 1-(4-methylcyclohex-3-enyl)ethanone, a natural product isolated from Cedrus atlantica essential oil
The stereochemistry has been confirmed by single-crystal X-ray diffraction
The thiadiazoline ring is roughly planar, it may be regarded as having a half-chair conformation
Summary
Key indicators: single-crystal X-ray study; T = 180 K; mean (C–C) = 0.002 A; R factor = 0.037; wR factor = 0.113; data-to-parameter ratio = 25.1. The new title thiadiazole compound, C14H21N3O2S, was semisynthesized starting from 1-(4-methylcyclohex-3-enyl)ethanone, a natural product isolated from Cedrus atlantica essential oil. The stereochemistry has been confirmed by single-crystal X-ray diffraction. The thiadiazoline ring is roughly planar, it may be regarded as having a half-chair conformation. The cyclohexenyl ring has a halfchair conformation. The most interesting feature is the formation of a pseudo-ring formed by four molecules associated through N—HÁ Á ÁO hydrogen bonds around a fourfold inversion axis, forming an R44(28) motif
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