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1-(4-klorofenil)-3-metil-5-{4-[(2-metilfenil)metoksi]fenil}-1H-pirazol’ün Kristal Yapısı ve Hirshfeld Yüzey Analizi

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dc.contributor.authorAYDIN, Abdullah
dc.contributor.authorTURANLI, Sumeyye
dc.contributor.authorAKKURT, Mehmet
dc.contributor.authorBANOĞLU, Erden
dc.contributor.authorÖZÇELİK, Nefise
dc.date.accessioned2026-01-04T16:28:23Z
dc.date.issued2022-01-31
dc.description.abstractBu çalışmanın amacı, 1-(4-klorofenil)-3-metil-5-{4-[(2-metilfenil)metoksi]fenil}-1H-pirazol bileşiğinin X-ışınları tek kristal kırınım yöntemi ile kristal yapısının ve Hirshfeld yüzey analizinin araştırılmasıdır. Kapalı formülü C24H21ClN2O olan bu bileşikte; 4-klorofenil, 2-metilfenil ve benzen halkaları, 3-metil-1H-pirazol halkasına göre sırasıyla 59.8 (2), 25.2 (2) ve 45.6 (2)°’ lik dihedral açılarıyla yönlenmektedirler. Moleküller, moleküler paketlemenin dengelenmesine katkıda bulunmak için moleküller arası C–H ··· π etkileşimleriyle bağlanmıştır. Ayrıca bileşikteki supramoleküler etkileşimleri doğrulamak ve ölçmek için Hirshfeld yüzey analizi kullanılmıştır. Elde edilen veriler, kristal paketlemede en önemli katkıların H···H (%49.8), H···C/C···H (%27.6) ve H ··· Cl/Cl· ··H (%10.4) etkileşimlerinden kaynaklandığını göstermiştir.
dc.description.urihttps://doi.org/10.29130/dubited.823399
dc.description.urihttps://dergipark.org.tr/tr/download/article-file/1387741
dc.description.urihttps://doaj.org/article/ba75f649f3af4b4181506f24dce0aac6
dc.description.urihttps://hdl.handle.net/20.500.12684/11880
dc.description.urihttps://search.trdizin.gov.tr/yayin/detay/1123519
dc.description.urihttps://hdl.handle.net/20.500.12451/9795
dc.description.urihttps://dergipark.org.tr/tr/pub/dubited/issue/68307/823399
dc.identifier.doi10.29130/dubited.823399
dc.identifier.eissn2148-2446
dc.identifier.endpage138
dc.identifier.openairedoi_dedup___::054de59417e963d6d07d884691a80371
dc.identifier.orcid0000-0003-2805-9314
dc.identifier.orcid0000-0002-6291-6079
dc.identifier.orcid0000-0003-2421-0929
dc.identifier.orcid0000-0003-4737-1733
dc.identifier.orcid0000-0002-6972-1071
dc.identifier.startpage128
dc.identifier.urihttps://hdl.handle.net/20.500.12597/39477
dc.identifier.volume10
dc.publisherDuzce Universitesi Bilim ve Teknoloji Dergisi
dc.relation.ispartofDüzce Üniversitesi Bilim ve Teknoloji Dergisi
dc.rightsOPEN
dc.subjectcrystal structure
dc.subjectTechnology
dc.subjectScience (General)
dc.subjectCrystal structure
dc.subjectPyrazole ring
dc.subjectC-H··· π interactions
dc.subjectHirshfeld surface analysis
dc.subjectScience
dc.subjectMühendislik
dc.subjectKristal yapı
dc.subjectAntikanser
dc.subjectPirazol halkası
dc.subjectC-H··· π etkileşimleri
dc.subjectHirshfeld yüzey analizi
dc.subjectKristal Yapı
dc.subjectHirshfeld yüzey analizi Crystal structure
dc.subjectQ1-390
dc.subjectEngineering
dc.subjectHirshfeld Yüzey Analizi
dc.subjectC-H··· ? etkileşimleri
dc.subjectc-h··· π etkileşimleri
dc.subjecthirshfeld surface analysis
dc.subjectC-H··· ? Etkileşimleri
dc.subjectkristal yapı
dc.subjectHirshfeld surface analysis
dc.subjecthirshfeld yüzey analizi
dc.subjectc-h··· π interactions
dc.subjectPirazol halkası
dc.subjectPyrazole ring
dc.subjectC-H··· ? Interactions
dc.subjectT
dc.subjectQ
dc.subjectpyrazole ring
dc.subjectEngineering (General). Civil engineering (General)
dc.subjectAnticancer
dc.subjectAntikanser
dc.subjectCrystal Structure
dc.subjectPyrazole Ring
dc.subjectpirazol halkası
dc.subjectC-H··· ? interactions
dc.subjectHirshfeld Surface Analysis
dc.subjectKristal yapı
dc.subjectTA1-2040
dc.subjectantikanser
dc.title1-(4-klorofenil)-3-metil-5-{4-[(2-metilfenil)metoksi]fenil}-1H-pirazol’ün Kristal Yapısı ve Hirshfeld Yüzey Analizi
dc.typeArticle
dspace.entity.typePublication
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Kapalı formülü C24H21ClN2O olan bu bileşikte; 4-klorofenil, 2-metilfenil ve benzen halkaları, 3-metil-1H-pirazol halkasına göre sırasıyla 59.8 (2), 25.2 (2) ve 45.6 (2)°’ lik dihedral açılarıyla yönlenmektedirler. Moleküller, moleküler paketlemenin dengelenmesine katkıda bulunmak için moleküller arası C–H ··· π etkileşimleriyle bağlanmıştır. Ayrıca bileşikteki supramoleküler etkileşimleri doğrulamak ve ölçmek için Hirshfeld yüzey analizi kullanılmıştır. 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