meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate
The structure of the title solvated porphyrin, C56H38N8O2·C6H14, is reported. Two porphyrin molecules, one ordered and one disordered n-hexane solvate molecules are present in its asymmetric unit. The porphyrin macrocycle shows a characteristic saddle-shaped distortion, and the maximum deviation fro...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2023-12-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314623010854 |
| _version_ | 1827389574583681024 |
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| author | Xiaotao Sun Jianfeng Li |
| author_facet | Xiaotao Sun Jianfeng Li |
| author_sort | Xiaotao Sun |
| collection | DOAJ |
| description | The structure of the title solvated porphyrin, C56H38N8O2·C6H14, is reported. Two porphyrin molecules, one ordered and one disordered n-hexane solvate molecules are present in its asymmetric unit. The porphyrin macrocycle shows a characteristic saddle-shaped distortion, and the maximum deviation from the mean plane for non-hydrogen atoms is 0.48 Å. N—H...N, N—H...O, and C—H...O hydrogen bonds, as well as π–π interactions, are observed in the crystal structure. |
| first_indexed | 2024-03-08T16:38:48Z |
| format | Article |
| id | doaj.art-0624007db6e74a48bd02f948fa961b21 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-03-08T16:38:48Z |
| publishDate | 2023-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-0624007db6e74a48bd02f948fa961b212024-01-05T10:37:35ZengInternational Union of CrystallographyIUCrData2414-31462023-12-01812x23108510.1107/S2414314623010854bh4080meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvateXiaotao Sun0Jianfeng Li1College of Materials Science and Optoelectronic Technology, CAS Center for Excellence in Topological Quantum Computation & Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Yanqi Lake, Huairou District, Beijing 101408, People's Republic of ChinaCollege of Materials Science and Optoelectronic Technology, CAS Center for Excellence in Topological Quantum Computation & Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Yanqi Lake, Huairou District, Beijing 101408, People's Republic of ChinaThe structure of the title solvated porphyrin, C56H38N8O2·C6H14, is reported. Two porphyrin molecules, one ordered and one disordered n-hexane solvate molecules are present in its asymmetric unit. The porphyrin macrocycle shows a characteristic saddle-shaped distortion, and the maximum deviation from the mean plane for non-hydrogen atoms is 0.48 Å. N—H...N, N—H...O, and C—H...O hydrogen bonds, as well as π–π interactions, are observed in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?S2414314623010854crystal structureporphyrinssolvatehydrogen bondsdisorder |
| spellingShingle | Xiaotao Sun Jianfeng Li meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate IUCrData crystal structure porphyrins solvate hydrogen bonds disorder |
| title | meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate |
| title_full | meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate |
| title_fullStr | meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate |
| title_full_unstemmed | meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate |
| title_short | meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate |
| title_sort | meso α α 5 15 bis o nicotinamidophenyl 10 20 diphenylporphyrin n hexane monosolvate |
| topic | crystal structure porphyrins solvate hydrogen bonds disorder |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314623010854 |
| work_keys_str_mv | AT xiaotaosun mesoaa515bisonicotinamidophenyl1020diphenylporphyrinnhexanemonosolvate AT jianfengli mesoaa515bisonicotinamidophenyl1020diphenylporphyrinnhexanemonosolvate |