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N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide ethyl acetate hemisolvate.

ABSTRACT: The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol-ecule. The thia-diazole ring is almost planar, with a maximum deviation from the mean plane of 0.015?(2)?Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026?(2)?Å. The dihedral angle between the benzene and thia-diazole rings is 18.32?(8)°. The crystal packing involves inter-molecular N-H?O hydrogen bonds.

SUBMITTER: Loughzail M

PROVIDER: S-EPMC2967856 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide ethyl acetate hemisolvate.

Loughzail Mohamed M Mazoir Noureddine N Maya Celia M CM Berraho Moha M Benharref Ahmed A Bouhmaida Nouzha N

Acta crystallographica. Section E, Structure reports online 20081203 Pt 1

The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol-ecule. The thia-diazole ring is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2) Å. The dihedral angle between the benzene and thia-diazole rings is 18.32 (8)°. The crystal packin ...[more]

PMID: 21581682

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