Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1 R ,4 S )- and 1-[(1 S ,4 R )-1,7,7-trimethyl-2-oxobi-cyclo[2.2.1]heptan-3-yl-idene]hydrazinecarbo-thio-amide

The equimolar reaction between a racemic mixture of ( )- and ( )-camphorquinone with thio-semicarbazide yielded the title compound, C H N OS [common name: ( )- and ( )-camphor thio-semicarbazone], which maintains the chirality of the methyl-ated chiral carbon atoms and crystallizes in the centrosymm...

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Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2020-01, Vol.76 (Pt 1), p.115-120
Main Authors: Pires, Fabrício Carvalho, Bresolin, Leandro, Gervini, Vanessa Carratu, Tirloni, Bárbara, Bof de Oliveira, Adriano
Format: Article
Language:English
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Research Communications
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Summary:The equimolar reaction between a racemic mixture of ( )- and ( )-camphorquinone with thio-semicarbazide yielded the title compound, C H N OS [common name: ( )- and ( )-camphor thio-semicarbazone], which maintains the chirality of the methyl-ated chiral carbon atoms and crystallizes in the centrosymmetric space group 2/ . There are two mol-ecules in general positions in the asymmetric unit, one of them being the (1 )-camphor thio-semicarbazone isomer and the second the (1 )- isomer. In the crystal, the mol-ecular units are linked by C-H⋯S, N-H⋯O and N-H⋯S inter-actions, building a tape-like structure parallel to the (01) plane, generating (7) and (8) graph-set motifs for the H⋯S inter-actions. The Hirshfeld surface analysis indicates that the major contributions for crystal cohesion are from H⋯H (55.00%), H⋯S (22.00%), H⋯N (8.90%) and H⋯O (8.40%) inter-actions.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989019016980