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dc.contributor.authorAltowyan, Mezna Saleh
dc.contributor.authorHaukka, Matti
dc.contributor.authorSoliman, Saied M.
dc.contributor.authorBarakat, Assem
dc.contributor.authorAlaswad, Saleh O.
dc.contributor.authorBoraei, Ahmed T. A.
dc.contributor.authorGad, Emad M.
dc.contributor.authorYoussef, Mohamed F.
dc.date.accessioned2023-03-14T07:24:48Z
dc.date.available2023-03-14T07:24:48Z
dc.date.issued2023
dc.identifier.citationAltowyan, M. S., Haukka, M., Soliman, S. M., Barakat, A., Alaswad, S. O., Boraei, A. T. A., Gad, E. M., & Youssef, M. F. (2023). Synthesis, Characterization and Single Crystal X-ray Diffraction Analysis of Fused Triazolo/Thiadiazole Clubbed with Indole Scaffold. <i>Crystals</i>, <i>13</i>(3), Article 423. <a href="https://doi.org/10.3390/cryst13030423" target="_blank">https://doi.org/10.3390/cryst13030423</a>
dc.identifier.otherCONVID_177192910
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/86000
dc.description.abstractThe present synthetic strategy involves the synthesis of indolyl-triazolo-thiadiazole heterocyclic ring systems 8–13 from the condensation of 4-amino-5-(1H-indol-2-yl)-3H-1,2,4-triazole-3-thione 1 with the aromatic carboxylic acid derivatives 2–7 in presence of POCl3 for 1 h. All compounds were obtained in very good yields and have been well-characterized using spectroscopic techniques. Exclusively, good quality crystals from the target organic hybrid 8-(1H-indol-2-yl)-5-(p-tolyl)-[1,2,4]triazolo [3,4-b][1,3,4]thiadiazole 9 were obtained and found suitable for X-ray single crystal diffraction measurement, which is used to confirm and analyze the molecular and supramolecular structure aspects of 9. The solid-state structure of the synthesized molecule 9 agrees very well with other characterizations. The packing of 9 is dominated by the N…H, S…H, C…C and S…C non-covalent interactions, which agree with the Hirshfeld surface analysis. The percentages of these contacts are calculated to be 20.3%, 5.4%, 9.4% and 4.3%, respectively.en
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherMDPI AG
dc.relation.ispartofseriesCrystals
dc.rightsCC BY 4.0
dc.subject.otherfused heterocycle
dc.subject.othertriazole
dc.subject.otherthiadiazole
dc.subject.othercomputational study
dc.titleSynthesis, Characterization and Single Crystal X-ray Diffraction Analysis of Fused Triazolo/Thiadiazole Clubbed with Indole Scaffold
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202303142154
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineEpäorgaaninen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.contributor.oppiaineInorganic Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.relation.issn2073-4352
dc.relation.numberinseries3
dc.relation.volume13
dc.type.versionpublishedVersion
dc.rights.copyright© 2023 by the authors. Licensee MDPI, Basel, Switzerland
dc.rights.accesslevelopenAccessfi
dc.subject.ysoorgaaniset yhdisteet
dc.subject.ysolaskennallinen kemia
dc.subject.ysokemia
dc.subject.ysoorgaaninen kemia
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p3841
jyx.subject.urihttp://www.yso.fi/onto/yso/p23053
jyx.subject.urihttp://www.yso.fi/onto/yso/p1801
jyx.subject.urihttp://www.yso.fi/onto/yso/p11902
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.3390/cryst13030423
jyx.fundinginformationPrincess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2023R86), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.
dc.type.okmA1


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