1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione
The solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the molecule crystallizes in a highly symmetric cu...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2019-09-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314619012689 |
| _version_ | 1818972854471884800 |
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| author | Jayaraman Selvakumar Kuppuswamy Arumugam |
| author_facet | Jayaraman Selvakumar Kuppuswamy Arumugam |
| author_sort | Jayaraman Selvakumar |
| collection | DOAJ |
| description | The solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the molecule crystallizes in a highly symmetric cubic space group so that one quarter of the molecule is crystallographically unique, the molecule lying on special positions (two mirror planes, two twofold axes and a center of inversion). The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume. These cavities contain residual density peaks but it was not possible to unambiguously identify the solvent therein. The contribution of the disordered solvent molecules to the scattering was removed using a solvent mask and is not included in the reported molecular weight. No classical hydrogen bonds are observed between the main molecules. |
| first_indexed | 2024-12-20T15:14:53Z |
| format | Article |
| id | doaj.art-cb27966cfa0f45f58709cb855e869a9f |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-20T15:14:53Z |
| publishDate | 2019-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-cb27966cfa0f45f58709cb855e869a9f2022-12-21T19:36:11ZengInternational Union of CrystallographyIUCrData2414-31462019-09-0149x19126810.1107/S2414314619012689zq40371,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithioneJayaraman Selvakumar0Kuppuswamy Arumugam1Department of Chemistry, Wright State University, 3640 Colonel Glenn Hwy, Dayton, OH 45435, USADepartment of Chemistry, Wright State University, 3640 Colonel Glenn Hwy, Dayton, OH 45435, USAThe solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the molecule crystallizes in a highly symmetric cubic space group so that one quarter of the molecule is crystallographically unique, the molecule lying on special positions (two mirror planes, two twofold axes and a center of inversion). The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume. These cavities contain residual density peaks but it was not possible to unambiguously identify the solvent therein. The contribution of the disordered solvent molecules to the scattering was removed using a solvent mask and is not included in the reported molecular weight. No classical hydrogen bonds are observed between the main molecules.http://scripts.iucr.org/cgi-bin/paper?S2414314619012689crystal structurequinobis(imidazole)dithionecubic symmetry |
| spellingShingle | Jayaraman Selvakumar Kuppuswamy Arumugam 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione IUCrData crystal structure quinobis(imidazole) dithione cubic symmetry |
| title | 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione |
| title_full | 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione |
| title_fullStr | 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione |
| title_full_unstemmed | 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione |
| title_short | 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione |
| title_sort | 1 1 3 3 tetramesitylquinobis imidazole 2 2 dithione |
| topic | crystal structure quinobis(imidazole) dithione cubic symmetry |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314619012689 |
| work_keys_str_mv | AT jayaramanselvakumar 1133tetramesitylquinobisimidazole22dithione AT kuppuswamyarumugam 1133tetramesitylquinobisimidazole22dithione |