TY - JOUR
T1 - Short Intramolecular N-H⋯C(carbonyl) Interactions in mixed-ligand molybdenum hexacarbonyl derivatives
AU - Budge, Matthew G.
AU - Muir, Kathleen J.
AU - McQuillan, Geoffrey P.
AU - Harrison, William T.A.
PY - 2011/6/8
Y1 - 2011/6/8
N2 - 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, β = 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, β = 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, β = 94.065 (1)°, V = 2268.12 (15) Å3, R(F) = 0.025, wR(F2) = 0.065.
AB - 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, β = 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, β = 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, β = 94.065 (1)°, V = 2268.12 (15) Å3, R(F) = 0.025, wR(F2) = 0.065.
KW - Back bonding
KW - Intramolecular interactions
KW - Metal carbonyls
KW - Molybdenum
UR - http://www.scopus.com/inward/record.url?scp=84901337752&partnerID=8YFLogxK
U2 - 10.3390/cryst1020047
DO - 10.3390/cryst1020047
M3 - Article
AN - SCOPUS:84901337752
SN - 0267-8292
VL - 1
SP - 47
EP - 58
JO - Crystals
JF - Crystals
IS - 2
ER -