Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro­phen­yl)-1-(2,5-di­chloro­thio­phen-3-yl)prop-2-en-1-one

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dc.authorid0000-0002-1141-5151
dc.contributor.authorMurthy, T. N. Sanjeeva
dc.contributor.authorAtioğlu, Zeliha
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorVeeraiah, M. K.
dc.contributor.authorQuah, Ching Kheng
dc.contributor.authorKumar, C. S. Chidan
dc.contributor.authorSiddaraju, B. P.
dc.date.accessioned2020-06-27T10:15:59Z
dc.date.available2020-06-27T10:15:59Z
dc.date.issued2019en_US
dc.departmentKapadokya Üniversitesi, Uygulamalı Bilimler Yüksekokulu, Havacılık Elektrik ve Elektroniği Bölümü
dc.descriptionTARAMAPUBMED
dc.descriptionTARAMASCOPUS
dc.descriptionTARAMAWOS
dc.description.abstractThe mol­ecular structure of the title compound, C13H7Cl3OS, consists of a 2,5- di­chloro­thio­phene ring and a 2-chloro­phenyl ring linked via a prop-2-en-1-one spacer. The dihedral angle between the 2,5-di­chloro­thio­phene and 2-chloro­phenyl rings is 9.69?(12)°. The mol­ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. The mol­ecular conformation is stabilized by two intra­molecular C—H?Cl contacts and one intra­molecular C—H?O contact, forming S(5)S(5)S(6) ring motifs. In the crystal, the mol­ecules are linked along the a-axis direction through van der Waals forces and along the b axis by face-to-face ?-stacking between the thio­phene rings and between the benzene rings of neighbouring mol­ecules, forming corrugated sheets lying parallel to the bc plane. The inter­molecular inter­actions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are Cl?H/ H?Cl (28.6%), followed by C?H/H?C (11.9%), C?C (11.1%), H?H (11.0%), Cl?Cl (8.1%), O?H/H?O (8.0%) and S?H/H?S (6.6%).
dc.identifier.citationMURTHY, T. S., ATİOĞLU, Z., AKKURT, M., VEERAIAH, M., QUAH, C. K., KUMAR, C., & SIDDARAJU, B. (2019). Crystal structure and Hirshfeld surface analysis of E 3 2 chlorophenyl 1 2 5 dichlorothiophen 3 yl prop 2 en 1 one. Acta Crystallographica Section E: Crystallographic Communications, 75(2), 124–128.
dc.identifier.doi10.1107/S2056989018018066
dc.identifier.endpage128en_US
dc.identifier.issn2056-9890
dc.identifier.issue2en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage124en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12695/566
dc.identifier.urihttps://doi.org/10.1107/S2056989018018066
dc.identifier.volume75en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Sceince
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorAtioğlu, Zeliha
dc.language.isoen
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsAttribution-NonCommercial-ShareAlike 4.0 International*
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.rights.urihttps://creativecommons.org/licenses/by-nc-sa/4.0/*
dc.subjectCrystal structure
dc.subject2,5- di­chloro­thio­phene ring
dc.subject2-chloro­phenyl ring
dc.subjectE configuration
dc.subjectIrshfeld surface analysis
dc.titleCrystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro­phen­yl)-1-(2,5-di­chloro­thio­phen-3-yl)prop-2-en-1-one
dc.typeArticle

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