Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethylbiphenyl
The title compound, C16H12N2, was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The molecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C—H...C[tr...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2013-03-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813004315 |
| _version_ | 1798017956136878080 |
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| author | Mahmoud Al-Ktaifani Mwaffak Rukiah |
| author_facet | Mahmoud Al-Ktaifani Mwaffak Rukiah |
| author_sort | Mahmoud Al-Ktaifani |
| collection | DOAJ |
| description | The title compound, C16H12N2, was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The molecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C—H...C[triple-bond]N hydrogen-bond-like contacts, which lead to the formation of a three-dimensional network. Further stabilization of the crystal structure is achived by weak non-covalent π–π interactions between aromatic rings, with a centroid–centroid distance of 3.839 (8) Å. |
| first_indexed | 2024-04-11T16:14:58Z |
| format | Article |
| id | doaj.art-f223dc824274418cba8e48f6e661ebd8 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:14:58Z |
| publishDate | 2013-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-f223dc824274418cba8e48f6e661ebd82022-12-22T04:14:34ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-03-01693o412o41310.1107/S1600536813004315Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethylbiphenylMahmoud Al-KtaifaniMwaffak RukiahThe title compound, C16H12N2, was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The molecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C—H...C[triple-bond]N hydrogen-bond-like contacts, which lead to the formation of a three-dimensional network. Further stabilization of the crystal structure is achived by weak non-covalent π–π interactions between aromatic rings, with a centroid–centroid distance of 3.839 (8) Å.http://scripts.iucr.org/cgi-bin/paper?S1600536813004315 |
| spellingShingle | Mahmoud Al-Ktaifani Mwaffak Rukiah Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethylbiphenyl Acta Crystallographica Section E |
| title | Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethylbiphenyl |
| title_full | Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethylbiphenyl |
| title_fullStr | Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethylbiphenyl |
| title_full_unstemmed | Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethylbiphenyl |
| title_short | Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethylbiphenyl |
| title_sort | powder x ray investigation of 4 4 8242 diisocyano 3 3 8242 dimethylbiphenyl |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813004315 |
| work_keys_str_mv | AT mahmoudalktaifani powderxrayinvestigationof448242diisocyano338242dimethylbiphenyl AT mwaffakrukiah powderxrayinvestigationof448242diisocyano338242dimethylbiphenyl |