The hydro-chloric acid-catalyzed equimolar reaction between cis-jasmone and 4-phenyl-thio-semicarbazide yielded the title compound, C(18)H(23)N(3)S (common name: cis-jasmone 4-phenyl-thio-semicarbazone). Concerning the hydrogen bonding, an N-Hâ¯N intra-molecular inter-action is observed, forming a ring with graph-set motif S(5). In the crystal, the mol-ecules are connected into centrosymmetric dimers by pairs of N-Hâ¯S and C-Hâ¯S inter-actions, forming rings of graph-set motifs R (2) (2)(8) and R (2) (1)(7), with the sulfur atoms acting as double acceptors. The thio-semicarbazone entity is approximately planar, with the maximum deviation from the mean plane through the N/N/C/S/N atoms being 0.0376â (9)â à (the r.m.s.d. amounts to 0.0234â à ). The mol-ecule is substantially twisted as indicated by the dihedral angle between the thio-semicarbazone fragment and the phenyl ring, which amounts to 56.1â (5)°, and because of the jasmone fragment, which bears a chain with sp (3)-hybridized carbon atoms in the structure. The Hirshfeld surface analysis indicates that the major contributions for the crystal cohesion are: Hâ¯H (65.3%), Hâ¯C/Câ¯H (16.2%), Hâ¯S/Sâ¯H (10.9%) and Hâ¯N/Nâ¯H (5.5%).
2-{3-Methyl-2-[(2Z)-pent-2-en-1-yl]cyclo-pent-2-en-1-yl-idene}-N-phenylhydrazinecarbo-thio-amide.
2-{3-甲基-2-[(2Z)-戊-2-烯-1-基]环戊-2-烯-1-基亚甲基}-N-苯基肼甲硫代酰胺
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作者:Oliveira Adriano Bof, Bresolin Leandro, Beck Johannes, Daniels Jörg
| 期刊: | IUCrdata | 影响因子: | 0.000 |
| 时间: | 2023 | 起止号: | 2023 Nov 14; 8(Pt 11):x230971 |
| doi: | 10.1107/S2414314623009719 | ||
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