Cargando…
5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate
Molecules of the title compound, C(52)H(38)N(4)O(8), are located on an inversion center so that the asymmetric cell contains one half of the molecule. The macrocycle exhibits a ruffled conformation with a maximum deviation of 0.16 Å for the 24 macrocycle atoms: the dihedral angle between adjacent...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589037/ https://www.ncbi.nlm.nih.gov/pubmed/23476273 http://dx.doi.org/10.1107/S1600536812047332 |
_version_ | 1782261683105824768 |
---|---|
author | Miranda, Micael D. Ramos Silva, Manuela Maria, Teresa M. R. Balakrishna, Avula Sobral, Abilio J. F. N. |
author_facet | Miranda, Micael D. Ramos Silva, Manuela Maria, Teresa M. R. Balakrishna, Avula Sobral, Abilio J. F. N. |
author_sort | Miranda, Micael D. |
collection | PubMed |
description | Molecules of the title compound, C(52)H(38)N(4)O(8), are located on an inversion center so that the asymmetric cell contains one half of the molecule. The macrocycle exhibits a ruffled conformation with a maximum deviation of 0.16 Å for the 24 macrocycle atoms: the dihedral angle between adjacent five-membered rings is 5.13 (19)°. The benzene rings are rotated by 70.25 (19)° with respect to their adjacent protonated five-membered rings, and by 65.56 (19)° with respect to the unprotonated rings. The porphyrin conformation is supported by bifurcated N—H⋯(N,N) hydrogen bonds. The structure contained poorly resolved solvent molecules in voids of volume 217 Å(3) per unit cell. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. As the solvent could not be identified exactly, it was not included in the calculation of the overall formula weight, density and absorption coefficient. |
format | Online Article Text |
id | pubmed-3589037 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35890372013-03-08 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate Miranda, Micael D. Ramos Silva, Manuela Maria, Teresa M. R. Balakrishna, Avula Sobral, Abilio J. F. N. Acta Crystallogr Sect E Struct Rep Online Organic Papers Molecules of the title compound, C(52)H(38)N(4)O(8), are located on an inversion center so that the asymmetric cell contains one half of the molecule. The macrocycle exhibits a ruffled conformation with a maximum deviation of 0.16 Å for the 24 macrocycle atoms: the dihedral angle between adjacent five-membered rings is 5.13 (19)°. The benzene rings are rotated by 70.25 (19)° with respect to their adjacent protonated five-membered rings, and by 65.56 (19)° with respect to the unprotonated rings. The porphyrin conformation is supported by bifurcated N—H⋯(N,N) hydrogen bonds. The structure contained poorly resolved solvent molecules in voids of volume 217 Å(3) per unit cell. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. As the solvent could not be identified exactly, it was not included in the calculation of the overall formula weight, density and absorption coefficient. International Union of Crystallography 2012-11-28 /pmc/articles/PMC3589037/ /pubmed/23476273 http://dx.doi.org/10.1107/S1600536812047332 Text en © Miranda et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Miranda, Micael D. Ramos Silva, Manuela Maria, Teresa M. R. Balakrishna, Avula Sobral, Abilio J. F. N. 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate |
title | 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate |
title_full | 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate |
title_fullStr | 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate |
title_full_unstemmed | 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate |
title_short | 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate |
title_sort | 5,10,15,20-tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589037/ https://www.ncbi.nlm.nih.gov/pubmed/23476273 http://dx.doi.org/10.1107/S1600536812047332 |
work_keys_str_mv | AT mirandamicaeld 5101520tetrakis4acetyloxyphenylporphyrinincludinganunknownsolvate AT ramossilvamanuela 5101520tetrakis4acetyloxyphenylporphyrinincludinganunknownsolvate AT mariateresamr 5101520tetrakis4acetyloxyphenylporphyrinincludinganunknownsolvate AT balakrishnaavula 5101520tetrakis4acetyloxyphenylporphyrinincludinganunknownsolvate AT sobralabiliojfn 5101520tetrakis4acetyloxyphenylporphyrinincludinganunknownsolvate |