Autor(es)

de Oliveira, Adriano Bof ; Beck, Johannes ; Landvogt, Christian ; de Farias, Renan Lira ; Santos Feitoza, Barbara Regina

• Tipo de documento: Artigo Científico
• Fonte: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS; v. 73, p. 12-pg., 2017-02-01.

Resumo

There are two crystallographically independent molecules in the asymmetric unit of the title compound, C13H17N3S, one of them being disordered over the methyl group [site-occupancy ratio = 0.705 (5): 0.295 (5)]. The maximum r. m. s. deviations from the mean plane of the non-H atoms for the tetralone fragments amount to 0.4572 (17) and 0.4558 (15) angstrom. The N-N-C-N fragments are not planar and torsion angles are -9.4 (2) and 8.3 (2)degrees. In the crystal, the molecules are linked by weak N-H center dot center dot center dot S interactions into chains along [100] with graph-set motif C(4) and connected by weak N-H center dot center dot center dot S and C-H center dot center dot center dot S interactions, forming R-2(1) (10) rings. The Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H center dot center dot center dot H (64.20%), H center dot center dot center dot S (12.60%) and H center dot center dot center dot C (12.00%) interactions. The crystal packing resembles a herringbone arrangement when viewed along [001]. (AU)

• Processo FAPESP: 15/12098-0 - Dinitrosilos de ferro contendo tióis e/ou tiossemicarbazonas: síntese, caracterização e avaliação de atividade contra câncer.
• Beneficiário: José Clayston Melo Pereira
• Modalidade de apoio: Auxílio à Pesquisa - Regular