Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 1 (January 2003)

organic compounds

Acta Cryst. (2003). C59, o46-o50 [ doi:10.1107/S0108270102021820 ]

Two derivatives of (N-phenylthioureidoalkyl)phosphonates

L. Checinska, L. Sieron, M. Bukowska-Strzyzewska, Z. H. Kudzin and L. Fábián

Abstract: The structures of diphenyl [3-methyl-1-(3-phenylthioureido)butyl]phosphonate and diphenyl [2-methyl-1-(3-phenylthioureido)butyl]phosphonate, both C₂₄H₂₇N₂O₃PS, are reported. In both compounds, the thiourea moiety adopts a syn-syn conformation (i.e. the S-C-N-C torsion angles are synperiplanar), which enables N-HO hydrogen bonds to be formed between centrosymmetrically related molecules. The geometries around the P atoms can be described as distorted tetrahedral. Some of the functional groups in each structure are disordered. The bulk of the different alkyl substituents between the amide and phosphonate groups influences the molecular conformation and crystal packing. Although the structures of these compounds and two related derivatives appear to be similar, they are not isostructural.

Formula: Two isomers of C₂₄H₂₇N₂O₃PS


	Structure factor file (CIF format) (210.0 kbytes) Contains datablock I

	Structure factor file (CIF format) (203.2 kbytes) Contains datablock II

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