Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 12 (December 2002)

Acta Cryst. (2002). C58, m570-m574 [doi:10.1107/S0108270102018309]

Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)

A. J. Blake, B. B. De, W.-S. Li and N. R. Thomas

Abstract: In the title compounds, [N-(phenyl{2-[N-(S)-(2-picolyl)prolylamino]phenyl}methylene)-(S)-phenylalaninato]nickel(II), [Ni(C₃₃H₃₀N₄O₃)], (I), [N-(phenyl{2-[N-(S)-(3-picolyl)prolylamino]phenyl}methylene)-(S)-phenylalaninato]nickel(II) hemihydrate, [Ni(C₃₃H₃₀N₄O₃)]·0.5H₂O, (II), and [N-({2-[N-(S)-ethylprolylamino]phenyl}phenylmethylene)-(S)-phenylalaninato]nickel(II), [Ni(C₂₉H₂₉N₃O₃)], (III), the Ni^II centres have approximate square-planar coordination geometries from N₃O donor sets. The picolyl N atoms in (I) and (II) are too remote from the metal centres to interact significantly, but the metal coordination geometries experience tetrahedral distortion and/or displacement of the metal centre from the N₃O plane. These are linked to conformational differences between the ligands of the symmetry-independent complexes (Z' = 2), which in turn are related to molecular packing. In (III), where a less sterically demanding ethyl group replaces the picolyl substituents, there are none of the distortions or displacements seen in (I) and (II).

Formula: [Ni(C₃₃H₃₀N₄O₃)], [Ni(C₃₃H₃₀N₄O₃)]·0.5H₂O and [Ni(C₂₉H₂₉N₃O₃)]

Online 8 November 2002


	Structure factor file (CIF format) (262.3 kbytes) Contains datablock I

	Structure factor file (CIF format) (233.5 kbytes) Contains datablock II

	Structure factor file (CIF format) (125.8 kbytes) Contains datablock III

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Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 12 (December 2002)

Retroracemization using new forms of Belokon's original ligand: intermediate NiII complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)

A. J. Blake, B. B. De, W.-S. Li and N. R. Thomas

Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II complexes of N-({2-[N-(S)-alkylprolylamino]phenyl}phenylmethylene)-(S)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)