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Crystal structure of N-ethyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amide.

ABSTRACT: There are two crystallographically independent mol-ecules 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 tetra-lone fragments amount to 0.4572?(17) and 0.4558?(15)?Å. The N-N-C-N fragments are not planar and torsion angles are -9.4?(2) and 8.3?(2)°. In the crystal, the mol-ecules are linked by weak N-H?S inter-actions into chains along [100] with graph-set motif C(4) and connected by weak N-H?S and C-H?S inter-actions, forming R21(10) rings. The Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H?H (64.20%), H?S (12.60%) and H?C (12.00%) inter-actions. The crystal packing resembles a herringbone arrangement when viewed along [001].

SUBMITTER: de Oliveira AB 

PROVIDER: S-EPMC5290584 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of <i>N</i>-ethyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amide.

de Oliveira Adriano Bof AB   Beck Johannes J   Landvogt Christian C   de Farias Renan Lira RL   Feitoza Bárbara Regina Santos BR  

Acta crystallographica. Section E, Crystallographic communications 20170131 Pt 2

There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C<sub>13</sub>H<sub>17</sub>N<sub>3</sub>S, 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 tetra-lone fragments amount to 0.4572 (17) and 0.4558 (15) Å. The N-N-C-N fragments are not planar and torsion angles are -9.4 (2) and 8.3 (2)°. In the crystal, the mol-ecules ar  ...[more]

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