1-Ethyl-3-methyl-1 H -imidazol-3-ium spiropentaborate
In the anion of the title compound, (C 6 H 11 N 2 )[B 5 O 6 (OH) 4 ], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidaz...
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| Veröffentlicht in: | Acta crystallographica. Section E, Structure reports online Structure reports online, 2014-02, Vol.70 (2), p.o171-o172 |
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| container_issue | 2 |
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| container_title | Acta crystallographica. Section E, Structure reports online |
| container_volume | 70 |
| creator | Parker, T. Gannon Pubbi, Divya Beehler, Austin Albrecht-Schmitt, Thomas E. |
| description | In the anion of the title compound, (C
6
H
11
N
2
)[B
5
O
6
(OH)
4
], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C—N—C—C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O—H...O hydrogen bonds, forming channels along the
a-
axis direction. The cations are situated in the channels, forming C—H...O hydrogen bonds with the anions. |
| doi_str_mv | 10.1107/S1600536813034363 |
| format | Article |
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6
H
11
N
2
)[B
5
O
6
(OH)
4
], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C—N—C—C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O—H...O hydrogen bonds, forming channels along the
a-
axis direction. The cations are situated in the channels, forming C—H...O hydrogen bonds with the anions.</description><identifier>ISSN: 1600-5368</identifier><identifier>EISSN: 1600-5368</identifier><identifier>DOI: 10.1107/S1600536813034363</identifier><language>eng</language><ispartof>Acta crystallographica. Section E, Structure reports online, 2014-02, Vol.70 (2), p.o171-o172</ispartof><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c903-508205b6ee1e01da51cfce2daf342fb53f75c25c19fb925c535c712e82b81e63</citedby><cites>FETCH-LOGICAL-c903-508205b6ee1e01da51cfce2daf342fb53f75c25c19fb925c535c712e82b81e63</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,864,27923,27924</link.rule.ids></links><search><creatorcontrib>Parker, T. Gannon</creatorcontrib><creatorcontrib>Pubbi, Divya</creatorcontrib><creatorcontrib>Beehler, Austin</creatorcontrib><creatorcontrib>Albrecht-Schmitt, Thomas E.</creatorcontrib><title>1-Ethyl-3-methyl-1 H -imidazol-3-ium spiropentaborate</title><title>Acta crystallographica. Section E, Structure reports online</title><description>In the anion of the title compound, (C
6
H
11
N
2
)[B
5
O
6
(OH)
4
], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C—N—C—C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O—H...O hydrogen bonds, forming channels along the
a-
axis direction. The cations are situated in the channels, forming C—H...O hydrogen bonds with the anions.</description><issn>1600-5368</issn><issn>1600-5368</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNplj8FKxDAURYMoOI5-gLv-QPS9vHlpu5RhdIQBF-O-JOkLVqa2JHUxfr1WXQiuzuEsLlylrhFuEKG83aMFYLIVEtCKLJ2oxZz03E7_-Lm6yPkVAG1pcKEY9WZ6OR406V6-BYttobu-a93HMOfuvS_y2KVhlLfJ-SG5SS7VWXSHLFe_XKr9_eZ5vdW7p4fH9d1OhxpIM1QG2FsRFMDWMYYYxLQu0spEzxRLDoYD1tHXX2TiUKKRyvgKxdJS4c9qSEPOSWIzpq536dggNPPr5t9r-gS18UhE</recordid><startdate>20140201</startdate><enddate>20140201</enddate><creator>Parker, T. Gannon</creator><creator>Pubbi, Divya</creator><creator>Beehler, Austin</creator><creator>Albrecht-Schmitt, Thomas E.</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20140201</creationdate><title>1-Ethyl-3-methyl-1 H -imidazol-3-ium spiropentaborate</title><author>Parker, T. Gannon ; Pubbi, Divya ; Beehler, Austin ; Albrecht-Schmitt, Thomas E.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c903-508205b6ee1e01da51cfce2daf342fb53f75c25c19fb925c535c712e82b81e63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><toplevel>online_resources</toplevel><creatorcontrib>Parker, T. Gannon</creatorcontrib><creatorcontrib>Pubbi, Divya</creatorcontrib><creatorcontrib>Beehler, Austin</creatorcontrib><creatorcontrib>Albrecht-Schmitt, Thomas E.</creatorcontrib><collection>CrossRef</collection><jtitle>Acta crystallographica. Section E, Structure reports online</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Parker, T. Gannon</au><au>Pubbi, Divya</au><au>Beehler, Austin</au><au>Albrecht-Schmitt, Thomas E.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>1-Ethyl-3-methyl-1 H -imidazol-3-ium spiropentaborate</atitle><jtitle>Acta crystallographica. Section E, Structure reports online</jtitle><date>2014-02-01</date><risdate>2014</risdate><volume>70</volume><issue>2</issue><spage>o171</spage><epage>o172</epage><pages>o171-o172</pages><issn>1600-5368</issn><eissn>1600-5368</eissn><abstract>In the anion of the title compound, (C
6
H
11
N
2
)[B
5
O
6
(OH)
4
], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C—N—C—C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O—H...O hydrogen bonds, forming channels along the
a-
axis direction. The cations are situated in the channels, forming C—H...O hydrogen bonds with the anions.</abstract><doi>10.1107/S1600536813034363</doi></addata></record> |
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| identifier | ISSN: 1600-5368 |
| ispartof | Acta crystallographica. Section E, Structure reports online, 2014-02, Vol.70 (2), p.o171-o172 |
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| language | eng |
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| source | DOAJ Directory of Open Access Journals; PubMed Central Open Access; PubMed Central; Free Full-Text Journals in Chemistry |
| title | 1-Ethyl-3-methyl-1 H -imidazol-3-ium spiropentaborate |
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