Crystal structure and Hirshfeld surface analysis of (2 E)-3-(2,4-dichlorophenyl)-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.authorKumar, C. S. Chidan
dc.contributor.authorVeeraiah, M. K.
dc.contributor.authorQuah, Ching Kheng
dc.contributor.authorSiddaraju, B. P.
dc.date.accessioned2020-06-27T10:17:10Z
dc.date.available2020-06-27T10:17:10Z
dc.date.issued2018en_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, C13H6Cl4OS, consists of a 2,5-di­chloro­thio­phene ring and a 2,4-di­chloro­phenyl ring linked via a prop-2-en-1-one spacer. The dihedral angle between the 2,5-di­chloro­thio­phene ring and the 2,4-di­chloro­phenyl ring is 12.24?(15)°. 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 intra­molecular C—H...Cl contacts, producing S(6) and S(5) ring motifs. In the crystal, the mol­ecules are linked along the a-axis direction through face-to-face ?-stacking between the thio­phene rings and the benzene rings of the mol­ecules in zigzag sheets lying parallel to the bc plane along the c axis. 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 (20.8%), followed by Cl...Cl (18.7%), C...C (11.9%), Cl...S/S...Cl (10.9%), H...H (10.1%), C...H/H...C (9.3%) and O...H/H...O (7.6%)
dc.identifier.citationMurthy, T. N. S., ATİOĞLU, Z., AKKURT, M., Chidan Kumar, C. S., Veeraiah, M. K., Quah, C. K., & Siddaraju, B. P. (2018). Crystal structure and Hirshfeld surface analysis of 2E 3 2 4 di chloro phen yl 1 2 5 di chloro thio phen 3 yl prop 2 en 1 one. Acta Crystallographica Section E, 74(9), 1201–1205.
dc.identifier.doi10.1107/S2056989018010976
dc.identifier.endpage1205en_US
dc.identifier.issn2056-9890
dc.identifier.issue9en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage1201en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12695/571
dc.identifier.urihttps://doi.org/10.1107/S2056989018010976
dc.identifier.volume74en_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.subject2,4-di­chloro­phenyl ring
dc.subjectE configuration
dc.subjectHirshfeld surface analysis
dc.titleCrystal structure and Hirshfeld surface analysis of (2 E)-3-(2,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one
dc.typeArticle

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