Tris[2-methoxy-6-(4-methylphenyliminiomethyl)phenolato-κ2O,O′]tris(thiocyanato-κN)neodymium(III)

Jia-Lu Liu,Guo-Liang Zhao,Jin-Bei Shen

doi:10.1107/s1600536809053124

Jia-Lu Liu, Guo-Liang Zhao + Show 1 more

Open Access

https://doi.org/10.1107/s1600536809053124

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Abstract

In the title compound, [Nd(NCS)3(C15H15NO2)3], the NdIII ion is coordinated by three thiocyanate anions [Nd—N = 2.489 (8)–2.530 (7) Å] and six O atoms [Nd—O = 2.375 (4)–2.843 (5) Å] from three zwitterionic 2-methoxy-6-(4-methylphenyliminiomethyl)phenolate ligands in a tricapped trigonal-prismatic geometry. Intramolecular N—H⋯O hydrogen bonds occur. The crystal packing exhibits weak intermolecular C—H⋯S hydrogen bonds, π–π interactions with a distance of 3.904 (7) Å between the centroids of the aromatic rings, and voids of 101 Å3.

Highlights

Structure Reports OnlineKey indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.012 A; R factor = 0.060; wR factor = 0.190; data-to-parameter ratio = 20.6
In the title compound, [Nd(NCS)3(C15H15NO2)3], the NdIII ion is coordinated by three thiocyanate anions [Nd—N = 2.489 (8)–2.530 (7) A ] and six O atoms [Nd—O = 2.375 (4)– 2.843 (5) A ] from three zwitterionic 2-methoxy-6-(4-methylphenyliminiomethyl)phenolate ligands in a tricapped trigonalprismatic geometry
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV2653)

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.012 A; R factor = 0.060; wR factor = 0.190; data-to-parameter ratio = 20.6. In the title compound, [Nd(NCS)3(C15H15NO2)3], the NdIII ion is coordinated by three thiocyanate anions [Nd—N = 2.489 (8)–2.530 (7) A ] and six O atoms [Nd—O = 2.375 (4)– 2.843 (5) A ] from three zwitterionic 2-methoxy-6-(4-methylphenyliminiomethyl)phenolate ligands in a tricapped trigonalprismatic geometry. Intramolecular N—HÁ Á ÁO hydrogen bonds occur. The crystal packing exhibits weak intermolecular C—HÁ Á ÁS hydrogen bonds, – interactions with a distance of 3.904 (7) Abetween the centroids of the aromatic rings, and voids of 101 A 3. Crystal data [Nd(NCS)3(C15H15NO2)3] Mr = 1042.35 Monoclinic, P21=c a = 16.6107 (3) Ab = 14.2425 (3) Ac = 22.1582 (4) A = 105.972 (1)

Data collection

DÁ Á ÁA

Bruker APEXII diffractometer

Special details