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Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate
The title crystals, C(9)H(5)Br(2)NO(2), are the first reported 2,6-dihalophenyl cyanide–isocyanide pair that have neither three- nor two-dimensional isomorphism. Both crystals contain contacts between the carbonyl O atom and a Br atom. In the crystal of the cyanide, R (2) (2)(10) inversion dimers fo...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947800/ https://www.ncbi.nlm.nih.gov/pubmed/29765720 http://dx.doi.org/10.1107/S2056989018002256 |
| _version_ | 1783322442969645056 |
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| author | Noland, Wayland E. Herzig, Ryan J. Engwall, Abigail J. Jensen, Renee C. Tritch, Kenneth J. |
| author_facet | Noland, Wayland E. Herzig, Ryan J. Engwall, Abigail J. Jensen, Renee C. Tritch, Kenneth J. |
| author_sort | Noland, Wayland E. |
| collection | PubMed |
| description | The title crystals, C(9)H(5)Br(2)NO(2), are the first reported 2,6-dihalophenyl cyanide–isocyanide pair that have neither three- nor two-dimensional isomorphism. Both crystals contain contacts between the carbonyl O atom and a Br atom. In the crystal of the cyanide, R (2) (2)(10) inversion dimers form based on C≡N⋯Br contacts, a common packing feature in this series of crystals. In the isocyanide, the corresponding N≡C⋯Br contacts are not observed. Instead, the isocyano C atom forms contacts with the methoxy C atom. RNC was refined as a two-component pseudo-merohedral twin. |
| format | Online Article Text |
| id | pubmed-5947800 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-59478002018-05-15 Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate Noland, Wayland E. Herzig, Ryan J. Engwall, Abigail J. Jensen, Renee C. Tritch, Kenneth J. Acta Crystallogr E Crystallogr Commun Research Communications The title crystals, C(9)H(5)Br(2)NO(2), are the first reported 2,6-dihalophenyl cyanide–isocyanide pair that have neither three- nor two-dimensional isomorphism. Both crystals contain contacts between the carbonyl O atom and a Br atom. In the crystal of the cyanide, R (2) (2)(10) inversion dimers form based on C≡N⋯Br contacts, a common packing feature in this series of crystals. In the isocyanide, the corresponding N≡C⋯Br contacts are not observed. Instead, the isocyano C atom forms contacts with the methoxy C atom. RNC was refined as a two-component pseudo-merohedral twin. International Union of Crystallography 2018-02-13 /pmc/articles/PMC5947800/ /pubmed/29765720 http://dx.doi.org/10.1107/S2056989018002256 Text en © Noland et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
| spellingShingle | Research Communications Noland, Wayland E. Herzig, Ryan J. Engwall, Abigail J. Jensen, Renee C. Tritch, Kenneth J. Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate |
| title | Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate |
| title_full | Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate |
| title_fullStr | Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate |
| title_full_unstemmed | Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate |
| title_short | Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate |
| title_sort | crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947800/ https://www.ncbi.nlm.nih.gov/pubmed/29765720 http://dx.doi.org/10.1107/S2056989018002256 |
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