(31E,32Z,71E,72Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11H,32H,51H,72H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane
Purple crystals of the title compound, C50H44Cl4N4S2 were obtained from the reaction of 2,5-bis(4-propyl-1H-pyrrol-2-yl)thiophene and 3,5-dichlorobenzaldehyde in the presence of trifluoroacetic acid for 3 h and subsequent addition of p-chloranil. The macrocycle in the title compound can be described...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2023-09-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314623007666 |
| _version_ | 1797641089087176704 |
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| author | Yoshihiro Ishimaru Ryo Ikeda Takashi Fujihara |
| author_facet | Yoshihiro Ishimaru Ryo Ikeda Takashi Fujihara |
| author_sort | Yoshihiro Ishimaru |
| collection | DOAJ |
| description | Purple crystals of the title compound, C50H44Cl4N4S2 were obtained from the reaction of 2,5-bis(4-propyl-1H-pyrrol-2-yl)thiophene and 3,5-dichlorobenzaldehyde in the presence of trifluoroacetic acid for 3 h and subsequent addition of p-chloranil. The macrocycle in the title compound can be described as a highly planar structure wthe the average deviation of the 32 macrocyclic atoms from the least-squares plane being 0.0416 Å. Its molecular conformation is stabilized by two intramolecular N—H...N bonds and a three-dimensional network is formed by C—H...π interactions. |
| first_indexed | 2024-03-11T13:39:32Z |
| format | Article |
| id | doaj.art-9130b375e6c041ebb10e98ffbd627d7d |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-03-11T13:39:32Z |
| publishDate | 2023-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-9130b375e6c041ebb10e98ffbd627d7d2023-11-02T13:45:36ZengInternational Union of CrystallographyIUCrData2414-31462023-09-0189x23076610.1107/S2414314623007666xu4052(31E,32Z,71E,72Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11H,32H,51H,72H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphaneYoshihiro Ishimaru0Ryo Ikeda1Takashi Fujihara2Division of Material Science, Graduate School of Science and Engineering, Saitama University, Shimo-ohkubo 255, Sakura-ku, Saitama City, Saitama, 338-8570, JapanDivision of Material Science, Graduate School of Science and Engineering, Saitama University, Shimo-ohkubo 255, Sakura-ku, Saitama City, Saitama, 338-8570, JapanComprehensive Analysis Center for Science, Saitama University, Shimo-ohkubo 255, Sakura-ku, Saitama City, Saitama 338-8570, JapanPurple crystals of the title compound, C50H44Cl4N4S2 were obtained from the reaction of 2,5-bis(4-propyl-1H-pyrrol-2-yl)thiophene and 3,5-dichlorobenzaldehyde in the presence of trifluoroacetic acid for 3 h and subsequent addition of p-chloranil. The macrocycle in the title compound can be described as a highly planar structure wthe the average deviation of the 32 macrocyclic atoms from the least-squares plane being 0.0416 Å. Its molecular conformation is stabilized by two intramolecular N—H...N bonds and a three-dimensional network is formed by C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S2414314623007666crystal structureantiaromaticheteroatommacrocyclic compound |
| spellingShingle | Yoshihiro Ishimaru Ryo Ikeda Takashi Fujihara (31E,32Z,71E,72Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11H,32H,51H,72H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane IUCrData crystal structure antiaromatic heteroatom macrocyclic compound |
| title | (31E,32Z,71E,72Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11H,32H,51H,72H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane |
| title_full | (31E,32Z,71E,72Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11H,32H,51H,72H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane |
| title_fullStr | (31E,32Z,71E,72Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11H,32H,51H,72H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane |
| title_full_unstemmed | (31E,32Z,71E,72Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11H,32H,51H,72H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane |
| title_short | (31E,32Z,71E,72Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11H,32H,51H,72H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane |
| title_sort | 31e 32z 71e 72z 4 8 bis 3 5 dichlorophenyl 14 33 53 73 tetrapropyl 11h 32h 51h 72h 1 5 2 5 3 7 5 2 tetrapyrrola 2 6 2 5 dithiophenacyclooctaphane |
| topic | crystal structure antiaromatic heteroatom macrocyclic compound |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314623007666 |
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