Abstract
In the title compound, [Fe(CH3CN)3(C29H27N5OP2)](BF4)2·2CH3CN, the FeII ion is octahedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-ethoxy-1,3,5-triazine and by three acetonitrile molecules. The four Fe—N bond lengths range from 1.9142 (12) to 1.9579 (11) Å, while the Fe—P bonds are 2.2452 (4) and 2.2506 (4) Å [P—Fe—P = 165.523 (14)°], consistent with FeII in a low-spin state. Unlike related Fe PNP complexes based on 2,6-diaminopyridine, the BF4 anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion–π interactions with the triazine ring and acetonitrile molecules in addition to ten C—H⋯F interactions. Most remarkable among these is an anion–π(triazine) interaction with a short distance of 2.788 (2) Å between one F and the centroid of the π-acidic triazine ring. The corresponding shortest distance between this F atom and a triazine carbon atom is 2.750 (2) Å. The two NH groups of the pincer ligand donate N—H⋯N hydrogen bonds to the triazine N atom of a neighbouring complex and to an uncoordinated acetonitrile molecule. This last molecule is in a side-on head-to-tail association with the second uncoordinated acetonitrile at C⋯N distances of 3.467 (2) and 3.569 (2) Å. In contrast to several related compounds with diaminopyridine- instead of diaminotriazine-based PNP ligands, the title crystal structure is remarkably well ordered. This suggests that the diaminotriazine moiety exerts notable crystal structure stabilizing effects.
Highlights
In the title compound, [Fe(CH3CN)3(C29H27N5OP2)](BF4)22CH3CN, the FeII ion is octahedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-ethoxy-1,3,5-triazine and by three acetonitrile molecules
PNP complexes based on 2,6-diaminopyridine, the BF4 anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion– interactions with the triazine ring and acetonitrile molecules in addition to ten C—H F
The two NH groups of the pincer ligand donate N—H N hydrogen bonds to the triazine N atom of a neighbouring complex and to an uncoordinated acetonitrile molecule. This last molecule is in a side-on head-to-tail association with the second uncoordinated acetonitrile at C N distances of 3.467 (2) and
Summary
Unlike related Fe. PNP complexes based on 2,6-diaminopyridine, the BF4 anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion– interactions with the triazine ring and acetonitrile molecules in addition to ten C—H F interactions. PNP complexes based on 2,6-diaminopyridine, the BF4 anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion– interactions with the triazine ring and acetonitrile molecules in addition to ten C—H F interactions Most remarkable among these is an anion–. The two NH groups of the pincer ligand donate N—H N hydrogen bonds to the triazine N atom of a neighbouring complex and to an uncoordinated acetonitrile molecule This last molecule is in a side-on head-to-tail association with the second uncoordinated acetonitrile at C N distances of 3.467 (2) and. This suggests that the diaminotriazine moiety exerts notable crystal structure stabilizing effects
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