Autor(es)

Zukerman-Schpector, Julio ; Madureira, Lucas Sousa ; Rodrigues, Alessandro ; Vinhato, Elisangela ; Olivato, Paulo R.

• Tipo de documento: Artigo Científico
• Fonte: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE; v. 65, p. 9-pg., 2009-07-01.

Resumo

The 1,3,4-oxadiazinane ring in the title compound, C(18)H(18)N(2)O(4), is in a twisted boat conformation. The two carbonyl groups are orientated towards the same side of the molecule. The dihedral angle between the planes of the benzene rings is 76.6 (3)degrees. Molecules are sustained in the three-dimensional structure by a combination of C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi-pi [shortest centroid-centroid distance = 3.672 (6) angstrom] interactions. (AU)

• Processo FAPESP: 08/02531-5 - Quimica computacional: cristalografia, modelagem molecular e docking.
• Beneficiário: Julio Zukerman Schpector
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 03/05520-0 - Sintese e analise conformacional de novas tetraidro-oxadiazinonas-n3 -acil substituidas.
• Beneficiário: Alessandro Rodrigues
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado