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Crystals 2011, 1(2), 47-58; doi:10.3390/cryst1020047
Article

Short Intramolecular N–H⋯C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives

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Received: 10 May 2011 / Revised: 25 May 2011 / Accepted: 8 June 2011 / Published: 8 June 2011
(This article belongs to the Special Issue Feature Paper)
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Abstract

The syntheses and single-crystal structures of Mo(CO)3(phen)(dipy) (1), Mo(CO)3(biquin)(dipy) (2) and Mo(CO)3(dpme)(dipy) (3), (phen = 1,10-phenanthroline, C12H8N2; dipy = 2,2'-dipyridylamine, C10H9N3; biquin = 2,2'-biquinoline, C18H12N2; dpme = 2,2'-dipyridylmethane, C11H10N2) are described. In each case, distorted fac-MoC3N3 octahedral coordination geometries arise for the metal atoms. Short intramolecular N–H…C interactions from the dipy N–H group to a carbonyl carbon atom occur in each structure. Crystal data: 1 (C25H17MoN5O3), Mr = 531.38, monoclinic, P21/n (No. 14), Z = 4, a = 11.0965 (5) Å, b = 13.0586 (6) Å, c = 16.6138 (8) Å, b = 108.324 (1)°, V = 2285.31 (18) Å3, R(F) = 0.035, wR(F2) = 0.070. 2 (C31H21MoN5O3), Mr = 607.47, monoclinic, P21/n (No. 14), Z = 4, a = 11.4788 (6) Å, b = 19.073 (1) Å, c = 11.9881 (6) Å, b = 95.179 (1)°, V = 2613.9 (2) Å3, R(F) = 0.030, wR(F2) = 0.076. 3 (C24H19MoN5O3), Mr = 521.38, monoclinic, P21/n (No. 14), Z = 4, a = 8.4222 (3) Å, b = 21.5966 (9) Å, c = 12.5011 (5) Å, b = 94.065 (1)°, V = 2268.12 (15) Å3, R(F) = 0.025, wR(F2) = 0.065.
Keywords: metal carbonyls; molybdenum; back bonding; intramolecular interactions metal carbonyls; molybdenum; back bonding; intramolecular interactions
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Budge, M.G.; Muir, K.J.; McQuillan, G.P.; Harrison, W.T. Short Intramolecular N–H⋯C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives. Crystals 2011, 1, 47-58.

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