2-{3-Methyl-2-[(2Z)-pent-2-en-1-yl]cyclo-pent-2-en-1-yl-idene}-N-phenylhydrazinecarbo-thio-amide.
IUCrdata
; 8(Pt 11): x230971, 2023 Nov.
Article
en En
| MEDLINE
| ID: mdl-38313069
ABSTRACT
The hydro-chloric acid-catalyzed equimolar reaction between cis-jasmone and 4-phenyl-thio-semicarbazide yielded the title compound, C18H23N3S (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
Å (the r.m.s.d. amounts to 0.0234â
Å). 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%).
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Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
IUCrdata
Año:
2023
Tipo del documento:
Article
País de afiliación:
Brasil
Pais de publicación:
Reino Unido