Synthesis, Molecular and Crystal Structures of Some Monocyanocymantrenes

• Published in: Journal of chemical crystallography Vol. 52; no. 3; pp. 315 - 323
• Main Authors: Sünkel, Karlheinz, Reimann, Dietmar, Klein-Heßling, Christian
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.09.2022; Springer; Springer Nature B.V
• Subjects: Carbon monoxide; Chemical synthesis; Chemistry; Chemistry and Materials Science; Crystal structure; Crystallography and Scattering Methods; Crystals; Cyano groups; Inorganic Chemistry; Organometallic Chemistry; Original Paper; Physical Chemistry; Structure; Ultraviolet radiation; Cymantrene; C-H⋯X interactions; Cyanocyclopentadienyl complexes; Electrophilic cyanation
• ISSN: 1074-1542; 1572-8854
• DOI: 10.1007/s10870-022-00929-1

Electrophilic cyanation of the lithiated cymantrenes [(C 5 X 4 Li)Mn(CO) 3 ] (X = H, Cl) yields the corresponding monocyanocymantrenes [(C 5 X 4 CN)Mn(CO) 3 ] ( 1 , 3 ). UV irradiation of 1 in the presence of PPh 3 leads to the formation of [(C 5 H 4 CN)Mn(CO) 2 PPh 3 ] ( 2 ). The molecular and crystal structures of 1 , 2 and 3 were determined. The cyano groups take part in intermolecular C-X⋯N (X = H, Cl) interactions for all compounds. Graphical Abstract The crystal structures of the cyanocymantrenes [(C 5 X 4 CN)Mn(CO) 2 L] X = H, Cl, L= CO, PPh 3 ) show numerous C-X⋯Y (X= H, Cl; Y= N, O, C, H) and for L= PPh 3 also C-H⋯π interactions.