Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2?E)-2,2?-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate
Yükleniyor...
Dosyalar
Tarih
2023
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
The overall molecular configuration of the title compound, C12H16N6OS2·C3H7NO, is stabilized in the solid state by intramolecular C—H?N, C—H?O, N—H?N and N—H?O interactions, forming S(5) ring motifs. In the crystal, molecules are linked to each other and solvent dimethylformamide molecules by N—H?S, N—H?O, C—H?O and C—H?S hydrogen bonds, forming a three dimensional network. The phenyl ring of the title compound is disordered over two sites with an occupancy ratio of 0.57?(4):0.43?(4). A Hirshfeld surface analysis was performed to quantify the contributions of the different intermolecular interactions, indicating that the most important contributions to the crystal packing are from H?H (38.7%), S?H / H?S (24.0%), C?H / H?C (18.5%) and N?H / H?N (9.8%) interactions.
Açıklama
Anahtar Kelimeler
crystal structure, disorder, hydrogen bonds, Hirshfeld surface analysis, ?-chloroketone, chlorooxirane, bisthiosemicarbazone
Kaynak
WoS Q Değeri
Scopus Q Değeri
Cilt
79
Sayı
10
