10-[(4-Nitrophenyl)ethynyl]-10H-phenothiazine
The title compound, C20H12N2OS, is a 10-ethynyl-10H-phenothiazine derivative. The phenothiazine unit has a butterfly shape, where the folding angle between the two benzene rings is 153.87 (7)°, which is almost as in other reported phenothiazine derivatives. The dihedral angle between the mean plane...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2022-09-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314622009427 |
| _version_ | 1817979401033220096 |
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| author | Tsunehisa Okuno Ikue Doi |
| author_facet | Tsunehisa Okuno Ikue Doi |
| author_sort | Tsunehisa Okuno |
| collection | DOAJ |
| description | The title compound, C20H12N2OS, is a 10-ethynyl-10H-phenothiazine derivative. The phenothiazine unit has a butterfly shape, where the folding angle between the two benzene rings is 153.87 (7)°, which is almost as in other reported phenothiazine derivatives. The dihedral angle between the mean plane including the C atoms bonded to the phenothiazine N atom and the benzene ring of the nitrobenzene group is 10.34 (5)°. The near planar geometry of the molecule is reasonably explained by intramolecular charge-transfer interactions. |
| first_indexed | 2024-04-13T22:42:23Z |
| format | Article |
| id | doaj.art-fa308e2b71514f238dcea788b24df778 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-13T22:42:23Z |
| publishDate | 2022-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-fa308e2b71514f238dcea788b24df7782022-12-22T02:26:35ZengInternational Union of CrystallographyIUCrData2414-31462022-09-0179x22094210.1107/S2414314622009427bh407010-[(4-Nitrophenyl)ethynyl]-10H-phenothiazineTsunehisa Okuno0Ikue Doi1Department of Systems Engineering, Wakayama University, Sakaedani, Wakayama, 640-8510, JapanDepartment of Systems Engineering, Wakayama University, Sakaedani, Wakayama, 640-8510, JapanThe title compound, C20H12N2OS, is a 10-ethynyl-10H-phenothiazine derivative. The phenothiazine unit has a butterfly shape, where the folding angle between the two benzene rings is 153.87 (7)°, which is almost as in other reported phenothiazine derivatives. The dihedral angle between the mean plane including the C atoms bonded to the phenothiazine N atom and the benzene ring of the nitrobenzene group is 10.34 (5)°. The near planar geometry of the molecule is reasonably explained by intramolecular charge-transfer interactions.http://scripts.iucr.org/cgi-bin/paper?S2414314622009427crystal structurephenothiazineynamineheterocycle conformation. |
| spellingShingle | Tsunehisa Okuno Ikue Doi 10-[(4-Nitrophenyl)ethynyl]-10H-phenothiazine IUCrData crystal structure phenothiazine ynamine heterocycle conformation. |
| title | 10-[(4-Nitrophenyl)ethynyl]-10H-phenothiazine |
| title_full | 10-[(4-Nitrophenyl)ethynyl]-10H-phenothiazine |
| title_fullStr | 10-[(4-Nitrophenyl)ethynyl]-10H-phenothiazine |
| title_full_unstemmed | 10-[(4-Nitrophenyl)ethynyl]-10H-phenothiazine |
| title_short | 10-[(4-Nitrophenyl)ethynyl]-10H-phenothiazine |
| title_sort | 10 4 nitrophenyl ethynyl 10h phenothiazine |
| topic | crystal structure phenothiazine ynamine heterocycle conformation. |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314622009427 |
| work_keys_str_mv | AT tsunehisaokuno 104nitrophenylethynyl10hphenothiazine AT ikuedoi 104nitrophenylethynyl10hphenothiazine |