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https://hdl.handle.net/10316/109823
Título: | 5,10,15,20-Tetra-kis(4-acetyl-oxyphen-yl)porphyrin including an unknown solvate | Autor: | Miranda, Micael D. Silva, Manuela Ramos Maria, Teresa M. R. Balakrishna, Avula Sobral, Abílio J. F. N. |
Palavras-chave: | single-crystal X-ray study; T = 293 K; mean (C–C) = 0.005 A°; R factor = 0.080; wR factor = 0.248; data-to-parameter ratio = 15.7 | Data: | 1-Dez-2012 | Editora: | International Union of Crystallography | Projeto: | project PEst-C/FIS/UI0036/2011 PTDC/AAC-CLI/098308/2008 PTDC/AAC-CLI/118092/2010 |
Título da revista, periódico, livro ou evento: | Acta Crystallographica Section E: Structure Reports Online | Volume: | 68 | Número: | Pt 12 | Resumo: | Mol-ecules of the title compound, C52H38N4O8, are located on an inversion center so that the asymmetric cell contains one half of the mol-ecule. 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 mol-ecules 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. | URI: | https://hdl.handle.net/10316/109823 | ISSN: | 1600-5368 | DOI: | 10.1107/S1600536812047332 | Direitos: | openAccess |
Aparece nas coleções: | FCTUC Química - Artigos em Revistas Internacionais FCTUC Física - Artigos em Revistas Internacionais |
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Ficheiro | Descrição | Tamanho | Formato | |
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5101520Tetrakis4acetyloxyphenylporphyrin-including-an-unknown-solvateActa-Crystallographica-Section-E-Structure-Reports-Online.pdf | 494.3 kB | Adobe PDF | Ver/Abrir |
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