dc.contributor.author | Altowyan, Mezna Saleh | |
dc.contributor.author | Haukka, Matti | |
dc.contributor.author | Soliman, Saied M. | |
dc.contributor.author | Barakat, Assem | |
dc.contributor.author | Alaswad, Saleh O. | |
dc.contributor.author | Boraei, Ahmed T. A. | |
dc.contributor.author | Gad, Emad M. | |
dc.contributor.author | Youssef, Mohamed F. | |
dc.date.accessioned | 2023-03-14T07:24:48Z | |
dc.date.available | 2023-03-14T07:24:48Z | |
dc.date.issued | 2023 | |
dc.identifier.citation | Altowyan, 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.other | CONVID_177192910 | |
dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/86000 | |
dc.description.abstract | The 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.mimetype | application/pdf | |
dc.language.iso | eng | |
dc.publisher | MDPI AG | |
dc.relation.ispartofseries | Crystals | |
dc.rights | CC BY 4.0 | |
dc.subject.other | fused heterocycle | |
dc.subject.other | triazole | |
dc.subject.other | thiadiazole | |
dc.subject.other | computational study | |
dc.title | Synthesis, Characterization and Single Crystal X-ray Diffraction Analysis of Fused Triazolo/Thiadiazole Clubbed with Indole Scaffold | |
dc.type | article | |
dc.identifier.urn | URN:NBN:fi:jyu-202303142154 | |
dc.contributor.laitos | Kemian laitos | fi |
dc.contributor.laitos | Department of Chemistry | en |
dc.contributor.oppiaine | Epäorgaaninen ja analyyttinen kemia | fi |
dc.contributor.oppiaine | Epäorgaaninen kemia | fi |
dc.contributor.oppiaine | Inorganic and Analytical Chemistry | en |
dc.contributor.oppiaine | Inorganic Chemistry | en |
dc.type.uri | http://purl.org/eprint/type/JournalArticle | |
dc.type.coar | http://purl.org/coar/resource_type/c_2df8fbb1 | |
dc.description.reviewstatus | peerReviewed | |
dc.relation.issn | 2073-4352 | |
dc.relation.numberinseries | 3 | |
dc.relation.volume | 13 | |
dc.type.version | publishedVersion | |
dc.rights.copyright | © 2023 by the authors. Licensee MDPI, Basel, Switzerland | |
dc.rights.accesslevel | openAccess | fi |
dc.subject.yso | orgaaniset yhdisteet | |
dc.subject.yso | laskennallinen kemia | |
dc.subject.yso | kemia | |
dc.subject.yso | orgaaninen kemia | |
dc.format.content | fulltext | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p3841 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p23053 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p1801 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p11902 | |
dc.rights.url | https://creativecommons.org/licenses/by/4.0/ | |
dc.relation.doi | 10.3390/cryst13030423 | |
jyx.fundinginformation | Princess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2023R86), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia. | |
dc.type.okm | A1 | |