Dimer Formation in 4-Benzyl-5-Methoxymethyl-3-Methyl-1 H -Pyrrole-2-Carboxylic Acid Benzyl Ester

• Autor(a) principal: Silva, M.
• Data de Publicação: 2007
• Outros Autores: Sobral, A., Silva, J., Santos, A., Melo, S., Beja, A.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
• Texto Completo: http://hdl.handle.net/10316/7701; https://doi.org/10.1007/s10870-007-9234-5

Abstract A new substituted pyrrole, a precursor of meso-free-porphyrins, has been synthesised and characterised by single-crystal X-ray diffraction: monoclinic, P21/c with a = 14.607(9) ?, b = 5.136(2) ?, c = 25.832(17) ?, ß = 108.14(5)?, Mr = 349.41, V = 1841.6(18) ?3, Z = 4. The molecules are assembled in centrosymmetric dimers via strong N–H...O hydrogen bonds. The dimers are gathered into chains via C–H...p intermolecular interactions. Graphical abstract The molecules in 4-benzyl-5-methoxymethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester are joined in dimmers by strong hydrogen bonds. The dimmers are aggregated in chains running along the b axis through C-H...?€ intermoleculear interactions.