Synthesis of Ethyl-2-Dicyanomethylene-4-Methyl-6-Phenyl-3-Cyclohexene-1-Carboxylate and Molecular Agglomerates in Its Crystal Structure
Three-component condensation of benzylideneacetone, ethyl acetoacetate, and malononitrile in the 1:1:1 molar ratio, respectively, in the presence of equimolar quantities of piperidine and glacial acetic acid is studied. The crystal structure of the reaction product (ethyl-2-dicyanomethylene-4-methyl...
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| Veröffentlicht in: | Journal of structural chemistry 2019-12, Vol.60 (12), p.1896-1905 |
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| container_end_page | 1905 |
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| container_issue | 12 |
| container_start_page | 1896 |
| container_title | Journal of structural chemistry |
| container_volume | 60 |
| creator | Ismiev, A. I. Potekhin, K. A. Maleev, A. V. Maharramov, A. M. |
| description | Three-component condensation of benzylideneacetone, ethyl acetoacetate, and malononitrile in the 1:1:1 molar ratio, respectively, in the presence of equimolar quantities of piperidine and glacial acetic acid is studied. The crystal structure of the reaction product (ethyl-2-dicyanomethylene-4-methyl-6-phenyl-3-cyclohexene-1-carboxylate) determined from XRD data by the method of atom-atom potentials contains energy traps in the form of double planar and double two-sided catchers. The energy traps lead to molecular agglomerates occurring in the crystal in the form of slightly deformed translationally identical hexagonal networks. |
| doi_str_mv | 10.1134/S0022476619120059 |
| format | Article |
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I. ; Potekhin, K. A. ; Maleev, A. V. ; Maharramov, A. M.</creator><creatorcontrib>Ismiev, A. I. ; Potekhin, K. A. ; Maleev, A. V. ; Maharramov, A. M.</creatorcontrib><description>Three-component condensation of benzylideneacetone, ethyl acetoacetate, and malononitrile in the 1:1:1 molar ratio, respectively, in the presence of equimolar quantities of piperidine and glacial acetic acid is studied. The crystal structure of the reaction product (ethyl-2-dicyanomethylene-4-methyl-6-phenyl-3-cyclohexene-1-carboxylate) determined from XRD data by the method of atom-atom potentials contains energy traps in the form of double planar and double two-sided catchers. The energy traps lead to molecular agglomerates occurring in the crystal in the form of slightly deformed translationally identical hexagonal networks.</description><identifier>ISSN: 0022-4766</identifier><identifier>EISSN: 1573-8779</identifier><identifier>DOI: 10.1134/S0022476619120059</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Acetic acid ; Agglomerates ; Atomic ; Atomic/Molecular Structure and Spectra ; Catchers ; Chemical synthesis ; Chemistry ; Chemistry and Materials Science ; Condensates ; Crystal structure ; Cyclohexene ; Inorganic Chemistry ; Malononitrile ; Molecular ; Molecular structure ; Optical and Plasma Physics ; Physical Chemistry ; Piperidine ; Reaction products ; Solid State Physics</subject><ispartof>Journal of structural chemistry, 2019-12, Vol.60 (12), p.1896-1905</ispartof><rights>Pleiades Publishing, Ltd. 2019</rights><rights>2019© Pleiades Publishing, Ltd. 2019</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c316t-d5f26cfd25696d31dd37b5014697a1444dd492b56ef1da92aaebce564138cfe53</citedby><cites>FETCH-LOGICAL-c316t-d5f26cfd25696d31dd37b5014697a1444dd492b56ef1da92aaebce564138cfe53</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S0022476619120059$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S0022476619120059$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27924,27925,41488,42557,51319</link.rule.ids></links><search><creatorcontrib>Ismiev, A. I.</creatorcontrib><creatorcontrib>Potekhin, K. A.</creatorcontrib><creatorcontrib>Maleev, A. V.</creatorcontrib><creatorcontrib>Maharramov, A. M.</creatorcontrib><title>Synthesis of Ethyl-2-Dicyanomethylene-4-Methyl-6-Phenyl-3-Cyclohexene-1-Carboxylate and Molecular Agglomerates in Its Crystal Structure</title><title>Journal of structural chemistry</title><addtitle>J Struct Chem</addtitle><description>Three-component condensation of benzylideneacetone, ethyl acetoacetate, and malononitrile in the 1:1:1 molar ratio, respectively, in the presence of equimolar quantities of piperidine and glacial acetic acid is studied. The crystal structure of the reaction product (ethyl-2-dicyanomethylene-4-methyl-6-phenyl-3-cyclohexene-1-carboxylate) determined from XRD data by the method of atom-atom potentials contains energy traps in the form of double planar and double two-sided catchers. The energy traps lead to molecular agglomerates occurring in the crystal in the form of slightly deformed translationally identical hexagonal networks.</description><subject>Acetic acid</subject><subject>Agglomerates</subject><subject>Atomic</subject><subject>Atomic/Molecular Structure and Spectra</subject><subject>Catchers</subject><subject>Chemical synthesis</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Condensates</subject><subject>Crystal structure</subject><subject>Cyclohexene</subject><subject>Inorganic Chemistry</subject><subject>Malononitrile</subject><subject>Molecular</subject><subject>Molecular structure</subject><subject>Optical and Plasma Physics</subject><subject>Physical Chemistry</subject><subject>Piperidine</subject><subject>Reaction products</subject><subject>Solid State Physics</subject><issn>0022-4766</issn><issn>1573-8779</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNp1kM1Kw0AUhQdRsFYfwN2A69H5y6SzLLFqoUWhug6TmZv-kCZ1ZgLmCXxtEyu4EFf3XL5zzoWL0DWjt4wJebeilHOZKsU045Qm-gSNWJIKMklTfYpGAyYDP0cXIewopXqi1Qh9rro6biBsA25KPIubriKc3G9tZ-pmD8MONRBJlt-aKPKygboXgmSdrZoNfAyckcz4ovnoKhMBm9rhZVOBbSvj8XS9rvoq35OAtzWex4Az34VoKryKvrWx9XCJzkpTBbj6mWP09jB7zZ7I4vlxnk0XxAqmInFJyZUtHU-UVk4w50RaJJRJpVPDpJTOSc2LREHJnNHcGCgsJEoyMbElJGKMbo69B9-8txBivmtaX_cncy6k4Klmqe5d7OiyvgnBQ5kf_HZvfJczmg__zv_8u8_wYyb03noN_rf5_9AX3NCDGw</recordid><startdate>20191201</startdate><enddate>20191201</enddate><creator>Ismiev, A. 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I.</creatorcontrib><creatorcontrib>Potekhin, K. A.</creatorcontrib><creatorcontrib>Maleev, A. V.</creatorcontrib><creatorcontrib>Maharramov, A. M.</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of structural chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ismiev, A. I.</au><au>Potekhin, K. A.</au><au>Maleev, A. V.</au><au>Maharramov, A. M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Synthesis of Ethyl-2-Dicyanomethylene-4-Methyl-6-Phenyl-3-Cyclohexene-1-Carboxylate and Molecular Agglomerates in Its Crystal Structure</atitle><jtitle>Journal of structural chemistry</jtitle><stitle>J Struct Chem</stitle><date>2019-12-01</date><risdate>2019</risdate><volume>60</volume><issue>12</issue><spage>1896</spage><epage>1905</epage><pages>1896-1905</pages><issn>0022-4766</issn><eissn>1573-8779</eissn><abstract>Three-component condensation of benzylideneacetone, ethyl acetoacetate, and malononitrile in the 1:1:1 molar ratio, respectively, in the presence of equimolar quantities of piperidine and glacial acetic acid is studied. The crystal structure of the reaction product (ethyl-2-dicyanomethylene-4-methyl-6-phenyl-3-cyclohexene-1-carboxylate) determined from XRD data by the method of atom-atom potentials contains energy traps in the form of double planar and double two-sided catchers. The energy traps lead to molecular agglomerates occurring in the crystal in the form of slightly deformed translationally identical hexagonal networks.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S0022476619120059</doi><tpages>10</tpages></addata></record> |
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| subjects | Acetic acid Agglomerates Atomic Atomic/Molecular Structure and Spectra Catchers Chemical synthesis Chemistry Chemistry and Materials Science Condensates Crystal structure Cyclohexene Inorganic Chemistry Malononitrile Molecular Molecular structure Optical and Plasma Physics Physical Chemistry Piperidine Reaction products Solid State Physics |
| title | Synthesis of Ethyl-2-Dicyanomethylene-4-Methyl-6-Phenyl-3-Cyclohexene-1-Carboxylate and Molecular Agglomerates in Its Crystal Structure |
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