Crystal structure and Hirshfeld surface analysis of 2-(4-amino-6-phenyl-1,2,5,6-tetra­hydro-1,3,5-triazin-2-yl­­idene)malono­nitrile di­methyl­formamide hemisolvate

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dc.contributor.authorMahmudov, Ibadulla
dc.contributor.authorAtioğlu, Zeliha
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorAbdullayev, Yusif
dc.contributor.authorSujayev, Afsun
dc.contributor.authorBhattarai, Ajaya
dc.date.accessioned2022-07-27T07:00:08Z
dc.date.available2022-07-27T07:00:08Z
dc.date.issued2022en_US
dc.departmentKapadokya Üniversitesi, Uygulamalı Bilimler Yüksekokulu, Havacılık Elektrik ve Elektroniği Bölümü
dc.description.abstractThe title compound, 2C12H10N6·C3H7NO, crystallizes as a racemate in the monoclinic P21/c space group with two independent mol­ecules (I and II) and one di­methyl­formamide solvent mol­ecule in the asymmetric unit. Both mol­ecules (I and II) have chiral centers at the carbon atoms where the triazine rings of mol­ecules I and II are attached to the phenyl ring. In the crystal, mol­ecules I and II are linked by inter­molecular N—H?N, N—H?O and C—H?N hydrogen bonds through the solvent di­methyl­formamide mol­ecule into layers parallel to (001). In addition, C—H?? inter­actions also connect adjacent mol­ecules into layers parallel to (001). The stability of the mol­ecular packing is ensured by van der Waals inter­actions between the layers. The Hirshfeld surface analysis indicates that N?H/H?N (38.3% for I; 35.0% for II), H?H (28.2% for I; 27.0% for II) and C?H/H?C (23.4% for I; 26.3% for II) inter­actions are the most significant contributors to the crystal packing.
dc.identifier.urihttps://hdl.handle.net/20.500.12695/1698
dc.institutionauthorAtioğlu, Zeliha
dc.language.isoen
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectcrystal structure
dc.subjectdisorder
dc.subjecthydrogen bonds
dc.subjectC—H interactions
dc.subjectHirshfeld surface analysis
dc.titleCrystal structure and Hirshfeld surface analysis of 2-(4-amino-6-phenyl-1,2,5,6-tetra­hydro-1,3,5-triazin-2-yl­­idene)malono­nitrile di­methyl­formamide hemisolvate
dc.typeArticle

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