Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 3 (March 2002)

Acta Cryst. (2002). C58, o178-o180 [doi:10.1107/S0108270101021552]

The diastereoisomers methyl 5-(S)-[2-(R)/(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate

T. Pilati and G. Casalone

Abstract: The title diastereoisomers, methyl 5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate and methyl 5-(S)-[2-(R)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate, both C₁₉H₂₃N₃O₅, have been studied in two crystalline forms. The first form, methyl 5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate-methyl 5-(S)-[2-(R)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate (1/1), 2(S),5(S)-C₁₉H₂₃N₃O₅·2(R),5(S)-C₁₉H₂₃N₃O₅, contains both S,S and S,R isomers, while the second, methyl 5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate, 2(S),5(S)-C₁₉H₂₃N₃O₅, is the pure S,S isomer. The S,S isomers in the two structures show very similar geometries, the maximum difference being about 15° on one torsion angle. The differences between the S,S and S,R isomers, apart from those due to the inversion of one chiral centre, are more remarkable, and are partially due to a possible rotational disorder of the 2-(methoxycarbonyl)tetrahydropyrrole group.

Formula: C₁₉H₂₃N₃O₅·C₁₉H₂₃N₃O₅ and C₁₉H₂₃N₃O₅

Online 28 February 2002


	Structure factor file (CIF format) (172.8 kbytes) Contains datablock I

	Structure factor file (CIF format) (107.6 kbytes) Contains datablock II

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