(SP-4-4)-[Hydrogen N-({2-[(2S)-1-benzylpyrrolidine-2-carboxamido]phenyl}(phenyl)methylene)-l-glutamato(2−)]nickel(II)

In the molecule of the title complex, [Ni(C30H29N3O5)], the Ni atom is coordinated in a distorted square-planar geometry by three N and one O atoms. The aromatic rings are oriented at dihedral angles of 29.01 (3), 79.73 (3) and 83.37 (3)°. The remaining rings adopt envelope conformations with the C and N atoms at the flap positions. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the molecules into chains along the b axis. There is also a weak C—H⋯π interaction.

In the molecule of the title complex, [Ni(C 30 H 29 N 3 O 5 )], the Ni atom is coordinated in a distorted square-planar geometry by three N and one O atoms. The aromatic rings are oriented at dihedral angles of 29.01 (3), 79.73 (3) and 83.37 (3) . The remaining rings adopt envelope conformations with the C and N atoms at the flap positions. In the crystal structure, intermolecular O-HÁ Á ÁO hydrogen bonds link the molecules into chains along the b axis. There is also a weak C-HÁ Á Á interaction.
In the title complex, (Fig. 1), the Ni atom is in a distorted square-planar coordination by three N and one O atoms. The Ni-N and Ni-O bond lengths (Allen et al., 1987) and angles (Table 1)  In the crystal structure, intermolecular O-H···O hydrogen bonds (Table 2) link the molecules into chains along the baxis, in which they may be effective in the stabilization of the structure. There is also a weak C-H···π interaction ( Table   2).

S2. Experimental
For the preparation of the title complex, a solution of KOH (4.49 g, 0.08 mol) in MeOH (15 ml) was poured into a mechanically stirred mixture of BPB (1.92 g, 0.005 mol), nickel chloride hexahydrate (2.38 g, 0.025 mol) and L-glutamic acid (3.68 g, 0.025 mol) in MeOH (17.5 ml) under argon atmosphere at 313-323 K. The resulting mixture was stirred at 328-338 K for 2 h, and then neutralized with AcOH (4.6 ml, 0.08 mol) and diluted with water (200 ml). After 6 h, the separated crystalline solid was filtered and washed twice with water. The title complex was purified by recrystallization in an acetone solution. Crystals suitable for X-ray analysis were obtained by slow evaporation of an acetone/hexane/AcOH (6:4:1) mixture after three weeks.

Figure 1
The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level.

(SP-4-4)-[Hydrogen N-({2-[(2S)-(1-benzylpyrrolidine-2-carboxamido]phenyl}(phenyl)methylene)-Lglutamato(2-)]nickel(II)
Crystal data [Ni(C 30  where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.001 Δρ max = 0.39 e Å −3 Δρ min = −0.48 e Å −3 Absolute structure: Flack (1983), 2145 Friedel pairs Absolute structure parameter: 0.00 (2) Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq