Crystal structure and Hirshfeld surface analysis of dimethyl 5-[2-(2,4,6-trioxo-1,3-diazinan-5-yl-idene)hydrazin-1-yl]benzene-1,3-dicarboxylate 0.124-hydrate

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dc.authorid0000-0002-1141-5151
dc.contributor.authorAtioğlu, Zeliha
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorMammadova, Gunay Z
dc.contributor.authorHuseynov, Fatali E
dc.contributor.authorHajiyeva, Sevinj R
dc.contributor.authorShamilov, NT
dc.contributor.authorBhattarai, Ajaya
dc.date.accessioned2021-08-07T09:32:03Z
dc.date.available2021-08-07T09:32:03Z
dc.date.issued2021en_US
dc.departmentKapadokya Üniversitesi, Uygulamalı Bilimler Yüksekokulu, Havacılık Elektrik ve Elektroniği Bölümü
dc.descriptionTARAMAWOS
dc.descriptionTARAMAPUBMED
dc.descriptionTARAMASCOPUS
dc.description.abstractIn the crystal, the whole molecule of the title compound, C14H12N4O7·0.224H2O, is nearly planar with a maximum deviation from the least-squares plane of 0.352?(1)?Å. The molecular conformation is stabilized by an intramolecular N—H?O hydrogen bond, generating an S(6) ring motif. In the crystal, molecules are linked by centrosymmetric pairs of N—H?O hydrogen bonds, forming ribbons along the c-axis direction. These ribbons connected by van der Waals contacts, forming sheets parallel to the ac plane. There are also intermolecular van der Waals contacts and and C—H?? interactions between the sheets. A Hirshfeld surface analysis indicates that the most prevalent interactions are O?H/H?O (41.2%), H?H (19.2%), C?H/H?C (12.2%) and C?O/ O?C (8.4%).
dc.identifier.endpage764en_US
dc.identifier.issn2056-9890
dc.identifier.issueE77en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage759en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989021006563
dc.identifier.urihttps://hdl.handle.net/20.500.12695/1239
dc.identifier.wosWOS:000688086100017
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Sceince
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorAtioğlu, Zeliha
dc.language.isoen
dc.relation.ispartofActa Cryst
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectCrystal structure
dc.subject1,3-diazinane ring
dc.subjectHydrogen bonds
dc.subjectHirshfeld surface analysis
dc.titleCrystal structure and Hirshfeld surface analysis of dimethyl 5-[2-(2,4,6-trioxo-1,3-diazinan-5-yl-idene)hydrazin-1-yl]benzene-1,3-dicarboxylate 0.124-hydrate
dc.typeArticle

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