Hydrogen-bonding directed cocrystallization of flexible piperazine with hydroxybenzoic acid derivatives： Structural diversity and synthon prediction
Four hydroxybenzoic acid building blocks, m-hydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 2,5-dihydroxyterephthalic acid, and 5-hydroxyisophthalic acid, have been synthesized as robust cocrystallizing agents and employed in reactions with piperazine, including [（C4H12N2 2＋）.（C7H5O3-）2] （l）, [（CaH1...
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| Veröffentlicht in: | Science China. Chemistry 2012-07, Vol.55 (7), p.1228-1235 |
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| creator | Wang, Lei Xue, RuiFeng Xu, LingYan Lu, XiFeng Chen, RuiXin Tao, XuTang |
| description | Four hydroxybenzoic acid building blocks, m-hydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 2,5-dihydroxyterephthalic acid, and 5-hydroxyisophthalic acid, have been synthesized as robust cocrystallizing agents and employed in reactions with piperazine, including [（C4H12N2 2＋）.（C7H5O3-）2] （l）, [（CaH12N2 2＋）.（C7H5O4-）2] （2）, [（C4H12N2 2＋）.（C8H5O6 2- ）] （3）, and [（C4H12N2 2＋）1/2. （C8H5O5）] . 2H2O （4）. Hydrogen-bonded directed assemblies of four salts were validated by single-crystal X-ray diffraction analysis. In compounds 1-4, hydroxybenzoic acids are all deprotonated and piperazine molecules are all protonated to form piperazine dications and keep the chair conformation. Thermal stability of these compounds has been investigated. |
| doi_str_mv | 10.1007/s11426-011-4487-4 |
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Hydrogen-bonded directed assemblies of four salts were validated by single-crystal X-ray diffraction analysis. In compounds 1-4, hydroxybenzoic acids are all deprotonated and piperazine molecules are all protonated to form piperazine dications and keep the chair conformation. Thermal stability of these compounds has been investigated.</description><identifier>ISSN: 1674-7291</identifier><identifier>EISSN: 1869-1870</identifier><identifier>DOI: 10.1007/s11426-011-4487-4</identifier><language>eng</language><publisher>Heidelberg: SP Science China Press</publisher><subject>Chemistry ; Chemistry and Materials Science ; Chemistry/Food Science ; Dihydroxybenzoic acid ; Hydrogen bonding ; Single crystals ; Thermal stability ; X-射线衍射分析 ; 二羟基苯甲酸 ; 共晶结构 ; 合成子 ; 多样性 ; 氢键 ; 生物灵 ; 羟基酸</subject><ispartof>Science China. Chemistry, 2012-07, Vol.55 (7), p.1228-1235</ispartof><rights>Science China Press and Springer-Verlag Berlin Heidelberg 2012</rights><rights>Science China Press and Springer-Verlag Berlin Heidelberg 2012.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c342t-581b667611b8d171e0512c9aa43ee31891fd55fb3cf8f73ad74dd32d12f45cfc3</citedby><cites>FETCH-LOGICAL-c342t-581b667611b8d171e0512c9aa43ee31891fd55fb3cf8f73ad74dd32d12f45cfc3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Uhttp://image.cqvip.com/vip1000/qk/60113X/60113X.jpg</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11426-011-4487-4$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://www.proquest.com/docview/2918509322?pq-origsite=primo$$EHTML$$P50$$Gproquest$$H</linktohtml><link.rule.ids>314,780,784,21388,21389,21390,21391,23256,27924,27925,33530,33703,33744,34005,34314,41488,42557,43659,43787,43805,43953,44067,51319,64385,64389,72469</link.rule.ids></links><search><creatorcontrib>Wang, Lei</creatorcontrib><creatorcontrib>Xue, RuiFeng</creatorcontrib><creatorcontrib>Xu, LingYan</creatorcontrib><creatorcontrib>Lu, XiFeng</creatorcontrib><creatorcontrib>Chen, RuiXin</creatorcontrib><creatorcontrib>Tao, XuTang</creatorcontrib><title>Hydrogen-bonding directed cocrystallization of flexible piperazine with hydroxybenzoic acid derivatives： Structural diversity and synthon prediction</title><title>Science China. Chemistry</title><addtitle>Sci. China Chem</addtitle><addtitle>SCIENCE CHINA Chemistry</addtitle><description>Four hydroxybenzoic acid building blocks, m-hydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 2,5-dihydroxyterephthalic acid, and 5-hydroxyisophthalic acid, have been synthesized as robust cocrystallizing agents and employed in reactions with piperazine, including [（C4H12N2 2＋）.（C7H5O3-）2] （l）, [（CaH12N2 2＋）.（C7H5O4-）2] （2）, [（C4H12N2 2＋）.（C8H5O6 2- ）] （3）, and [（C4H12N2 2＋）1/2. （C8H5O5）] . 2H2O （4）. Hydrogen-bonded directed assemblies of four salts were validated by single-crystal X-ray diffraction analysis. In compounds 1-4, hydroxybenzoic acids are all deprotonated and piperazine molecules are all protonated to form piperazine dications and keep the chair conformation. Thermal stability of these compounds has been investigated.</description><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Dihydroxybenzoic acid</subject><subject>Hydrogen bonding</subject><subject>Single crystals</subject><subject>Thermal stability</subject><subject>X-射线衍射分析</subject><subject>二羟基苯甲酸</subject><subject>共晶结构</subject><subject>合成子</subject><subject>多样性</subject><subject>氢键</subject><subject>生物灵</subject><subject>羟基酸</subject><issn>1674-7291</issn><issn>1869-1870</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><recordid>eNp9kUFuFDEQRVsIJKIkB2BnxLrBZbvb3UsUAUGKxCKwttx2ecZRY3dsz5Ceg2TBWbgTV8CjiWBHbaoW__8n1W-aV0DfAqXyXQYQrG8pQCvEIFvxrDmDoR9bGCR9Xu9eilayEV42lznf0TqcUya7s-bxerUpbjC0UwzWhw2xPqEpaImJJq256Hn2B118DCQ64mZ88NOMZPELJn3wAckPX7Zke8x5WCcMh-gN0cZbYjH5fbXuMf_-9ZPclrQzZZf0XCF7TNmXlehgSV5D2db8JaH15oi6aF44PWe8fNrnzbePH75eXbc3Xz59vnp_0xouWGm7Aaa-lz3ANFiQgLQDZkatBUfkMIzgbNe5iRs3OMm1lcJaziwwJzrjDD9v3pxylxTvd5iLuou7FCpS1XcNHR05Y1UFJ5VJMeeETi3Jf9dpVUDVsQF1akDVBtSxASWqh508uWrDBtO_5P-ZXj-B6js299X3lySYGHk3Cv4HBWCaOA</recordid><startdate>20120701</startdate><enddate>20120701</enddate><creator>Wang, Lei</creator><creator>Xue, RuiFeng</creator><creator>Xu, LingYan</creator><creator>Lu, XiFeng</creator><creator>Chen, RuiXin</creator><creator>Tao, XuTang</creator><general>SP Science China Press</general><general>Springer Nature B.V</general><scope>2RA</scope><scope>92L</scope><scope>CQIGP</scope><scope>~WA</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7XB</scope><scope>88I</scope><scope>8FE</scope><scope>8FG</scope><scope>8FK</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>GNUQQ</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>M2P</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>Q9U</scope></search><sort><creationdate>20120701</creationdate><title>Hydrogen-bonding directed cocrystallization of flexible piperazine with hydroxybenzoic acid derivatives： Structural diversity and synthon prediction</title><author>Wang, Lei ; Xue, RuiFeng ; Xu, LingYan ; Lu, XiFeng ; Chen, RuiXin ; Tao, XuTang</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c342t-581b667611b8d171e0512c9aa43ee31891fd55fb3cf8f73ad74dd32d12f45cfc3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2012</creationdate><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Chemistry/Food Science</topic><topic>Dihydroxybenzoic acid</topic><topic>Hydrogen bonding</topic><topic>Single crystals</topic><topic>Thermal stability</topic><topic>X-射线衍射分析</topic><topic>二羟基苯甲酸</topic><topic>共晶结构</topic><topic>合成子</topic><topic>多样性</topic><topic>氢键</topic><topic>生物灵</topic><topic>羟基酸</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Lei</creatorcontrib><creatorcontrib>Xue, RuiFeng</creatorcontrib><creatorcontrib>Xu, LingYan</creatorcontrib><creatorcontrib>Lu, XiFeng</creatorcontrib><creatorcontrib>Chen, RuiXin</creatorcontrib><creatorcontrib>Tao, XuTang</creatorcontrib><collection>中文科技期刊数据库</collection><collection>中文科技期刊数据库-CALIS站点</collection><collection>中文科技期刊数据库-7.0平台</collection><collection>中文科技期刊数据库- 镜像站点</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Science Database (Alumni Edition)</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central Korea</collection><collection>ProQuest Central Student</collection><collection>SciTech Premium Collection</collection><collection>Materials Science Database</collection><collection>Science Database</collection><collection>Materials Science Collection</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central Basic</collection><jtitle>Science China. Chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Lei</au><au>Xue, RuiFeng</au><au>Xu, LingYan</au><au>Lu, XiFeng</au><au>Chen, RuiXin</au><au>Tao, XuTang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Hydrogen-bonding directed cocrystallization of flexible piperazine with hydroxybenzoic acid derivatives： Structural diversity and synthon prediction</atitle><jtitle>Science China. Chemistry</jtitle><stitle>Sci. China Chem</stitle><addtitle>SCIENCE CHINA Chemistry</addtitle><date>2012-07-01</date><risdate>2012</risdate><volume>55</volume><issue>7</issue><spage>1228</spage><epage>1235</epage><pages>1228-1235</pages><issn>1674-7291</issn><eissn>1869-1870</eissn><abstract>Four hydroxybenzoic acid building blocks, m-hydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 2,5-dihydroxyterephthalic acid, and 5-hydroxyisophthalic acid, have been synthesized as robust cocrystallizing agents and employed in reactions with piperazine, including [（C4H12N2 2＋）.（C7H5O3-）2] （l）, [（CaH12N2 2＋）.（C7H5O4-）2] （2）, [（C4H12N2 2＋）.（C8H5O6 2- ）] （3）, and [（C4H12N2 2＋）1/2. （C8H5O5）] . 2H2O （4）. Hydrogen-bonded directed assemblies of four salts were validated by single-crystal X-ray diffraction analysis. In compounds 1-4, hydroxybenzoic acids are all deprotonated and piperazine molecules are all protonated to form piperazine dications and keep the chair conformation. Thermal stability of these compounds has been investigated.</abstract><cop>Heidelberg</cop><pub>SP Science China Press</pub><doi>10.1007/s11426-011-4487-4</doi><tpages>8</tpages></addata></record> |
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| subjects | Chemistry Chemistry and Materials Science Chemistry/Food Science Dihydroxybenzoic acid Hydrogen bonding Single crystals Thermal stability X-射线衍射分析 二羟基苯甲酸 共晶结构 合成子 多样性 氢键 生物灵 羟基酸 |
| title | Hydrogen-bonding directed cocrystallization of flexible piperazine with hydroxybenzoic acid derivatives： Structural diversity and synthon prediction |
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