Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen Bond
Cocrystal formation is a strategy used to modify the solid-state properties of a given molecule. In this study, a new cocrystal assembled by 1,4-Diiodotetrafluorobenzene (1,4-DITFB) and a pyrene derivative, 1-acetyl-3-phenyl-5-(1-pyrenyl)-pyrazoline (APPP), was synthesized. Due to the twisted struct...
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MDPI AG
2018-10-01
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| Series: | Crystals |
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| Online Access: | http://www.mdpi.com/2073-4352/8/10/392 |
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doaj-ae8fa67b5f3e463999ed7dae574f76732020-11-25T00:17:35ZengMDPI AGCrystals2073-43522018-10-0181039210.3390/cryst8100392cryst8100392Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen BondQi Feng0Wenhui Huan1Jiali Wang2Fang Guo3Jiadan Lu4Guowang Diao5Yaqi Shan6School of Chemistry & Chemical Engineering, Yangzhou University, Yangzhou 225002, ChinaSchool of Chemistry & Chemical Engineering, Yangzhou University, Yangzhou 225002, ChinaSchool of Chemistry & Chemical Engineering, Yangzhou University, Yangzhou 225002, ChinaSchool of Chemistry & Chemical Engineering, Yangzhou University, Yangzhou 225002, ChinaSchool of Chemistry & Chemical Engineering, Yangzhou University, Yangzhou 225002, ChinaSchool of Chemistry & Chemical Engineering, Yangzhou University, Yangzhou 225002, ChinaSchool of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, ChinaCocrystal formation is a strategy used to modify the solid-state properties of a given molecule. In this study, a new cocrystal assembled by 1,4-Diiodotetrafluorobenzene (1,4-DITFB) and a pyrene derivative, 1-acetyl-3-phenyl-5-(1-pyrenyl)-pyrazoline (APPP), was synthesized. Due to the twisted structure of APPP, the crystal structure is greatly different with some large π-conjugated compounds, which exhibits edge-to-face π-stacked arrangement between 1,4-DITFB and pyrene rings, rather than the face-to-face π-stacked arrangement. Hirshfeld surface analysis and the shift of characteristic vibration band of the carbonyl group in FT-IR spectroscopy suggest the formation of a C=O···I halogen bond.http://www.mdpi.com/2073-4352/8/10/392cocrystalpyrene derivative1,4-DITFB |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Qi Feng Wenhui Huan Jiali Wang Fang Guo Jiadan Lu Guowang Diao Yaqi Shan |
| spellingShingle |
Qi Feng Wenhui Huan Jiali Wang Fang Guo Jiadan Lu Guowang Diao Yaqi Shan Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen Bond Crystals cocrystal pyrene derivative 1,4-DITFB |
| author_facet |
Qi Feng Wenhui Huan Jiali Wang Fang Guo Jiadan Lu Guowang Diao Yaqi Shan |
| author_sort |
Qi Feng |
| title |
Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen Bond |
| title_short |
Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen Bond |
| title_full |
Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen Bond |
| title_fullStr |
Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen Bond |
| title_full_unstemmed |
Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen Bond |
| title_sort |
cocrystal assembled by pyrene derivative and 1,4-diiodotetrafluorobenzene via a c=o···i halogen bond |
| publisher |
MDPI AG |
| series |
Crystals |
| issn |
2073-4352 |
| publishDate |
2018-10-01 |
| description |
Cocrystal formation is a strategy used to modify the solid-state properties of a given molecule. In this study, a new cocrystal assembled by 1,4-Diiodotetrafluorobenzene (1,4-DITFB) and a pyrene derivative, 1-acetyl-3-phenyl-5-(1-pyrenyl)-pyrazoline (APPP), was synthesized. Due to the twisted structure of APPP, the crystal structure is greatly different with some large π-conjugated compounds, which exhibits edge-to-face π-stacked arrangement between 1,4-DITFB and pyrene rings, rather than the face-to-face π-stacked arrangement. Hirshfeld surface analysis and the shift of characteristic vibration band of the carbonyl group in FT-IR spectroscopy suggest the formation of a C=O···I halogen bond. |
| topic |
cocrystal pyrene derivative 1,4-DITFB |
| url |
http://www.mdpi.com/2073-4352/8/10/392 |
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