(4Z,5E,9E,10Z)-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine
The title molecule, C64H74N4, consists of a pyrene backbone with imine moieties located on the 4-, 5-, 9-, and 10-positions of the ring system. The aryl groups on these imines are sterically bulky 2,6-diisopropylphenyl units. As a consequence, the backbone itself is twisted, with an angle of 15.29 (...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2016-04-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616004843 |
| _version_ | 1819265881426886656 |
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| author | Owen M. Williams Alan H. Cowley |
| author_facet | Owen M. Williams Alan H. Cowley |
| author_sort | Owen M. Williams |
| collection | DOAJ |
| description | The title molecule, C64H74N4, consists of a pyrene backbone with imine moieties located on the 4-, 5-, 9-, and 10-positions of the ring system. The aryl groups on these imines are sterically bulky 2,6-diisopropylphenyl units. As a consequence, the backbone itself is twisted, with an angle of 15.29 (6)° between the mean planes (r.m.s. deviations = 0.006 and 0.009 Å) of the phenyl units. The N=C—C=N units are significantly twisted and feature torsion angles of −48.8 (2) and −46.3 (3)°. The non-planarity of the backbone and short C—N distances [ranging from 1.281 (2) to 1.285 (2) Å] indicate the lack of conjugation in the molecule and double-bond nature of the imines. Weak intramolecular and intermolecular C—H...π interactions are observed. |
| first_indexed | 2024-12-23T20:52:25Z |
| format | Article |
| id | doaj.art-eccc1607d5d14931a67d37c2f6993a14 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-23T20:52:25Z |
| publishDate | 2016-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-eccc1607d5d14931a67d37c2f6993a142022-12-21T17:31:37ZengInternational Union of CrystallographyIUCrData2414-31462016-04-0114x16048410.1107/S2414314616004843lh4003(4Z,5E,9E,10Z)-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimineOwen M. Williams0Alan H. Cowley1105 E. 24th St., Austin, TX 78704, USA105 E. 24th St., Austin, TX 78704, USAThe title molecule, C64H74N4, consists of a pyrene backbone with imine moieties located on the 4-, 5-, 9-, and 10-positions of the ring system. The aryl groups on these imines are sterically bulky 2,6-diisopropylphenyl units. As a consequence, the backbone itself is twisted, with an angle of 15.29 (6)° between the mean planes (r.m.s. deviations = 0.006 and 0.009 Å) of the phenyl units. The N=C—C=N units are significantly twisted and feature torsion angles of −48.8 (2) and −46.3 (3)°. The non-planarity of the backbone and short C—N distances [ranging from 1.281 (2) to 1.285 (2) Å] indicate the lack of conjugation in the molecule and double-bond nature of the imines. Weak intramolecular and intermolecular C—H...π interactions are observed.http://scripts.iucr.org/cgi-bin/paper?S2414314616004843crystal structurepyreneiminesingle-crystal X-ray |
| spellingShingle | Owen M. Williams Alan H. Cowley (4Z,5E,9E,10Z)-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine IUCrData crystal structure pyrene imine single-crystal X-ray |
| title | (4Z,5E,9E,10Z)-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine |
| title_full | (4Z,5E,9E,10Z)-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine |
| title_fullStr | (4Z,5E,9E,10Z)-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine |
| title_full_unstemmed | (4Z,5E,9E,10Z)-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine |
| title_short | (4Z,5E,9E,10Z)-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine |
| title_sort | 4z 5e 9e 10z n4 n5 n9 n10 tetrakis 2 6 diisopropylphenyl pyrene 4 5 9 10 tetraimine |
| topic | crystal structure pyrene imine single-crystal X-ray |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314616004843 |
| work_keys_str_mv | AT owenmwilliams 4z5e9e10zn4n5n9n10tetrakis26diisopropylphenylpyrene45910tetraimine AT alanhcowley 4z5e9e10zn4n5n9n10tetrakis26diisopropylphenylpyrene45910tetraimine |