[Dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol
The title compound, [dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol, Cy<sub>2</sub>P(=S)CH<sub>2</sub>OH (<b>1</b>), was obtained from the reaction between [Cy<sub>2</sub>P(CH<sub>2</sub>OH)<sub>2&l...
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| Format: | Article |
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MDPI AG
2019-07-01
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| Series: | Molbank |
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| Online Access: | https://www.mdpi.com/1422-8599/2019/3/M1069 |
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| author | William Henderson Obinna C. Okpareke Ainnul Hamidah Syahadah Azizan Edward R. T. Tiekink |
| author_facet | William Henderson Obinna C. Okpareke Ainnul Hamidah Syahadah Azizan Edward R. T. Tiekink |
| author_sort | William Henderson |
| collection | DOAJ |
| description | The title compound, [dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol, Cy<sub>2</sub>P(=S)CH<sub>2</sub>OH (<b>1</b>), was obtained from the reaction between [Cy<sub>2</sub>P(CH<sub>2</sub>OH)<sub>2</sub>]Cl with one molar equivalent of NaOH and an excess of elemental sulfur (powdered). Characterization was by a single-crystal X-ray structure determination as well as IR, and 1D-NMR (<sup>1</sup>H, <sup>13</sup>C{<sup>1</sup>H}, <sup>31</sup>P{<sup>1</sup>H}), and 2D-NMR (DEPT-135 and HSQC) spectroscopy, ESI mass spectrometry, and elemental analysis. X-ray crystallography on Compound <b>1</b> shows the phosphorus atom to be tetrahedrally coordinated within a non-symmetric C<sub>3</sub>S donor set but with relatively minor distortions from the ideal geometry. In the molecular packing, hydroxyl-O−H⋯S(thione) hydrogen bonds led to supramolecular helical chains along the <i>b</i>-axis direction. |
| first_indexed | 2024-12-11T22:19:49Z |
| format | Article |
| id | doaj.art-8ed15847c61d42d6bd29b9681c948158 |
| institution | Directory Open Access Journal |
| issn | 1422-8599 |
| language | English |
| last_indexed | 2024-12-11T22:19:49Z |
| publishDate | 2019-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molbank |
| spelling | doaj.art-8ed15847c61d42d6bd29b9681c9481582022-12-22T00:48:29ZengMDPI AGMolbank1422-85992019-07-0120193M106910.3390/M1069M1069[Dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanolWilliam Henderson0Obinna C. Okpareke1Ainnul Hamidah Syahadah Azizan2Edward R. T. Tiekink3Chemistry, School of Science, University of Waikato, Private Bag 3105, Hamilton, New ZealandChemistry, School of Science, University of Waikato, Private Bag 3105, Hamilton, New ZealandResearch Centre for Crystalline Materials, School of Science and Technology, Sunway University, No. 5 Jalan Universiti, Bandar Sunway 47500, Selangor Darul Ehsan, MalaysiaResearch Centre for Crystalline Materials, School of Science and Technology, Sunway University, No. 5 Jalan Universiti, Bandar Sunway 47500, Selangor Darul Ehsan, MalaysiaThe title compound, [dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol, Cy<sub>2</sub>P(=S)CH<sub>2</sub>OH (<b>1</b>), was obtained from the reaction between [Cy<sub>2</sub>P(CH<sub>2</sub>OH)<sub>2</sub>]Cl with one molar equivalent of NaOH and an excess of elemental sulfur (powdered). Characterization was by a single-crystal X-ray structure determination as well as IR, and 1D-NMR (<sup>1</sup>H, <sup>13</sup>C{<sup>1</sup>H}, <sup>31</sup>P{<sup>1</sup>H}), and 2D-NMR (DEPT-135 and HSQC) spectroscopy, ESI mass spectrometry, and elemental analysis. X-ray crystallography on Compound <b>1</b> shows the phosphorus atom to be tetrahedrally coordinated within a non-symmetric C<sub>3</sub>S donor set but with relatively minor distortions from the ideal geometry. In the molecular packing, hydroxyl-O−H⋯S(thione) hydrogen bonds led to supramolecular helical chains along the <i>b</i>-axis direction.https://www.mdpi.com/1422-8599/2019/3/M1069phosphane sulfidehydrogen bondingESI mass spectrometryX-ray crystallography |
| spellingShingle | William Henderson Obinna C. Okpareke Ainnul Hamidah Syahadah Azizan Edward R. T. Tiekink [Dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol Molbank phosphane sulfide hydrogen bonding ESI mass spectrometry X-ray crystallography |
| title | [Dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol |
| title_full | [Dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol |
| title_fullStr | [Dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol |
| title_full_unstemmed | [Dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol |
| title_short | [Dicyclohexyl(sulfanylidene)-λ<sup>5</sup>-phosphanyl]methanol |
| title_sort | dicyclohexyl sulfanylidene λ sup 5 sup phosphanyl methanol |
| topic | phosphane sulfide hydrogen bonding ESI mass spectrometry X-ray crystallography |
| url | https://www.mdpi.com/1422-8599/2019/3/M1069 |
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