Title of article :
Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1R,4S)- and 1-[(1S,4R)-1,7,7-tri­methyl-2-oxobi­cyclo[2.2.1]heptan-3-yl­­idene]hydrazinecarbo­thio­amide
Author/Authors :
Carvalho Pires, Fabrício Escola de Química e Alimentos - Universidade Federal do Rio Grande, Brazil , Bresolin, Leandro Escola de Química e Alimentos - Universidade Federal do Rio Grande, Brazil , Carratu Gervini, Vanessa Escola de Química e Alimentos - Universidade Federal do Rio Grande, Brazil , Tirloni, Bárbara Departamento de Química - Universidade Federal de Santa Maria, Brazil , Oliveira, Adriano Bof de Departamento de Química - Universidade Federal de Sergipe, Brazil
Pages :
13
From page :
1
To page :
13
Abstract :
The equimolar reaction between a racemic mixture of (R)- and (S)- camphorquinone with thiosemicarbazide yielded the title compound, C11H17N3OS [common name: (R)- and (S)-camphor thiosemicarbazone], which maintains the chirality of the methylated chiral carbon atoms and crystallizes in the centrosymmetric space group C2/c. There are two molecules in general positions in the asymmetric unit, one of them being the (1R)-camphor thiosemicarbazone isomer and the second the (1S)- isomer. In the crystal, the molecular units are linked by C—HS, N—HO and N—HS interactions, building a tape-like structure parallel to the (101) plane, generating R2 1 (7) and R2 2 (8) graph-set motifs for the HS interactions. The Hirshfeld surface analysis indicates that the major contributions for crystal cohesion are from HH (55.00%), HS (22.00%), HN (8.90%) and HO (8.40%) interactions.
Keywords :
chiral thio­semicarbazone , camphor derivative , racemic mixture , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2020
Full Text URL :
Record number :
2624582
Link To Document :
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