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1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate

Identifieur interne : 000999 ( Pmc/Curation ); précédent : 000998; suivant : 000A00

1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate

Auteurs : Susanta K. Nayak [Inde] ; S. Chandrasekhar [Inde] ; T. N. Guru Row [Inde]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2007.

RBID : PMC:2915313

Abstract

The title compound, racemic bnppa, C₂₀H₁₃O₄P, crystallizes with four molecules in the asymmetric unit. Two independent centrosymmetric O—H⋯O hydrogen-bonded tetramers, each involving two of the symmetry-independent molecules in the asymmetric unit generate the packing motif in the crystal structure. The hydrophobic parts of the tetramers connect to their neighbours via C—H⋯π and π–π interactions [3.899 (2), 3.895 (2) and 3.803 (2) Å within the symmetric unit, 3.851 (2), 4.000 (2), 3.988 (2) and 3.905 (2) Å across centres of symmetry].

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915313

DOI: 10.1107/S1600536807064343
PubMed: 21200821
PubMed Central: 2915313

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<author><name sortKey="Nayak, Susanta K" sort="Nayak, Susanta K" uniqKey="Nayak S" first="Susanta K." last="Nayak">Susanta K. Nayak</name>
<affiliation wicri:level="1"><nlm:aff id="a">Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Chandrasekhar, S" sort="Chandrasekhar, S" uniqKey="Chandrasekhar S" first="S." last="Chandrasekhar">S. Chandrasekhar</name>
<affiliation wicri:level="1"><nlm:aff id="b">Department of Organic Chemistry, Indian Institute of Science, Bangalore 560 012,<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Row, T N Guru" sort="Row, T N Guru" uniqKey="Row T" first="T. N. Guru" last="Row">T. N. Guru Row</name>
<affiliation wicri:level="1"><nlm:aff id="a">Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate</title>
<author><name sortKey="Nayak, Susanta K" sort="Nayak, Susanta K" uniqKey="Nayak S" first="Susanta K." last="Nayak">Susanta K. Nayak</name>
<affiliation wicri:level="1"><nlm:aff id="a">Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Chandrasekhar, S" sort="Chandrasekhar, S" uniqKey="Chandrasekhar S" first="S." last="Chandrasekhar">S. Chandrasekhar</name>
<affiliation wicri:level="1"><nlm:aff id="b">Department of Organic Chemistry, Indian Institute of Science, Bangalore 560 012,<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Row, T N Guru" sort="Row, T N Guru" uniqKey="Row T" first="T. N. Guru" last="Row">T. N. Guru Row</name>
<affiliation wicri:level="1"><nlm:aff id="a">Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2007">2007</date>
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<front><div type="abstract" xml:lang="en"><p>The title compound, racemic bnppa, C<sub>20</sub>
H<sub>13</sub>
O<sub>4</sub>
P, crystallizes with four molecules in the asymmetric unit. Two independent centrosymmetric O—H⋯O hydrogen-bonded tetramers, each involving two of the symmetry-independent molecules in the asymmetric unit generate the packing motif in the crystal structure. The hydrophobic parts of the tetramers connect to their neighbours <italic>via</italic>
 C—H⋯π and π–π interactions [3.899 (2), 3.895 (2) and 3.803 (2) Å within the symmetric unit, 3.851 (2), 4.000 (2), 3.988 (2) and 3.905 (2) Å across centres of symmetry].</p>
</div>
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<pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
  <front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id>
<journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id>
<journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title>
</journal-title-group>
<issn pub-type="epub">1600-5368</issn>
<publisher><publisher-name>International Union of Crystallography</publisher-name>
</publisher>
</journal-meta>
<article-meta><article-id pub-id-type="pmid">21200821</article-id>
<article-id pub-id-type="pmc">2915313</article-id>
<article-id pub-id-type="publisher-id">ln2013</article-id>
<article-id pub-id-type="doi">10.1107/S1600536807064343</article-id>
<article-id pub-id-type="coden">ACSEBH</article-id>
<article-id pub-id-type="pii">S1600536807064343</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Organic Papers</subject>
</subj-group>
</article-categories>
<title-group><article-title>1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate</article-title>
<alt-title><italic>C<sub>20</sub>
H<sub>13</sub>
O<sub>4</sub>
P</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Nayak</surname>
<given-names>Susanta K.</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Chandrasekhar</surname>
<given-names>S.</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Row</surname>
<given-names>T. N. Guru</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<aff id="a"><label>a</label>
Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country>
</aff>
<aff id="b"><label>b</label>
Department of Organic Chemistry, Indian Institute of Science, Bangalore 560 012,<country>India</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>ssctng@sscu.iisc.ernet.in</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>1</month>
<year>2008</year>
</pub-date>
<pub-date pub-type="epub"><day>12</day>
<month>12</month>
<year>2007</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>12</day>
<month>12</month>
<year>2007</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the 
 							. </pmc-comment>
      <volume>64</volume>
<issue>Pt 1</issue>
<issue-id pub-id-type="publisher-id">e080100</issue-id>
<fpage>o256</fpage>
<lpage>o256</lpage>
<history><date date-type="received"><day>22</day>
<month>11</month>
<year>2007</year>
</date>
<date date-type="accepted"><day>29</day>
<month>11</month>
<year>2007</year>
</date>
</history>
<permissions><copyright-statement>© International Union of Crystallography 2008</copyright-statement>
<copyright-year>2008</copyright-year>
<license license-type="open-access" xlink:href="http://journals.iucr.org/services/termsofuse.html"><license-p>This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.</license-p>
</license>
</permissions>
<self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536807064343">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract><p>The title compound, racemic bnppa, C<sub>20</sub>
H<sub>13</sub>
O<sub>4</sub>
P, crystallizes with four molecules in the asymmetric unit. Two independent centrosymmetric O—H⋯O hydrogen-bonded tetramers, each involving two of the symmetry-independent molecules in the asymmetric unit generate the packing motif in the crystal structure. The hydrophobic parts of the tetramers connect to their neighbours <italic>via</italic>
 C—H⋯π and π–π interactions [3.899 (2), 3.895 (2) and 3.803 (2) Å within the symmetric unit, 3.851 (2), 4.000 (2), 3.988 (2) and 3.905 (2) Å across centres of symmetry].</p>
</abstract>
</article-meta>
</front>
<floats-group><table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Hydrogen-bond geometry (Å, °)</title>
<p><italic>Cg</italic>
1 and <italic>Cg</italic>
2 are the centroids of the C64–C69 and C12–C17 rings.</p>
</caption>
<table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
⋯<italic>A</italic>
</th>
<th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>
—H⋯<italic>A</italic>
</th>
</tr>
</thead>
<tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O4—H1O⋯O7</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.78</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.475 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">141</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O8—H2O⋯O3<sup>i</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.77</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.450 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">139</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O16—H4O⋯O12<sup>ii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.99</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.441 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">114</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O11—H30⋯O15</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">1.71</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.477 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">154</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C22—H22⋯O11<sup>iii</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.51</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.435 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">174</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C59—H59⋯O7<sup>iv</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.56</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.478 (4)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">167</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C27—H27⋯<italic>Cg</italic>
1</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.75</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.567 (5)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">147</td>
</tr>
<tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C54—H54⋯<italic>Cg</italic>
2<sup>v</sup>
</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">2.77</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">3.535 (5)</td>
<td style="" rowspan="1" colspan="1" align="left" valign="top">140</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-64-0o256-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-64-0o256-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-64-0o256-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iv) <inline-formula><inline-graphic xlink:href="e-64-0o256-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
</record>

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1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate

1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate

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Abstract

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