التفاصيل البيبلوغرافية
| العنوان: |
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. |
| المؤلفون: |
Guseinov, Firudin I., Knyazev, Aleksandr V., Shuvalova, Elena V., Kobrakov, Konstantin I., Samigullina, Aida I., Atioğlu, Zeliha, Akkurt, Mehmet, Bhattarai, Ajaya |
| المصدر: |
Acta Crystallographica Section E: Crystallographic Communications; Oct2023, Vol. 79 Issue 10, p910-915, 12p |
| مصطلحات موضوعية: |
SURFACE analysis, CRYSTAL structure, SURFACE structure, MOLECULAR shapes, HYDROGEN bonding, DIMETHYLFORMAMIDE, METHOXY compounds |
| مستخلص: |
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. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
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