Crystal structure of N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

Author(s)

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

• Document type: Journal article
• Source: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS; v. 73, p. 12-pg., 2017-02-01.

Abstract

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)

• FAPESP's process: 15/12098-0 - Dinitrosyl complexes containing thiol and/or thiosemicarbazone : synthesis, characterization and treatment against cancer
• Grantee: José Clayston Melo Pereira
• Support Opportunities: Regular Research Grants