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Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate
The central β-lactam ring of the title compound, C(36)H(24)N(2)O(4), is almost planar (r.m.s. deviation = 0.003 Å) and makes dihedral angles of 17.17 (19), 89.76 (17) and 78.44 (17)° with the benzene ring, the anthracene ring (r.m.s. deviation = 0.003 Å) and the 1H-benzo[de]isoquinoline-1,3(2H)-dio...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350708/ https://www.ncbi.nlm.nih.gov/pubmed/25844239 http://dx.doi.org/10.1107/S2056989015002959 |
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author | Çelik, Ísmail Akkurt, Mehmet Jarrahpour, Aliasghar Rad, Javad Ameri Çelik, Ömer |
author_facet | Çelik, Ísmail Akkurt, Mehmet Jarrahpour, Aliasghar Rad, Javad Ameri Çelik, Ömer |
author_sort | Çelik, Ísmail |
collection | PubMed |
description | The central β-lactam ring of the title compound, C(36)H(24)N(2)O(4), is almost planar (r.m.s. deviation = 0.003 Å) and makes dihedral angles of 17.17 (19), 89.76 (17) and 78.44 (17)° with the benzene ring, the anthracene ring (r.m.s. deviation = 0.003 Å) and the 1H-benzo[de]isoquinoline-1,3(2H)-dione moiety, which is nearly planar [maximum deviation = 0.098 (2) Å], respectively. The molecular structure is stabilized by an intramolecular C—H⋯N hydrogen bond. In the crystal, molecules are linked via C—H⋯π and π–π stacking interactions [centroid–centroid distances = 3.5270 (19) and 3.779 (2) Å], forming a three-dimensional structure. A region of disordered electron density, probably disordered solvent molecules, was treated with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18], which indicated a solvent cavity of 322 Å(3) containing approximately 91 electrons. Their formula mass and unit-cell characteristics were not taken into account during the refinement. |
format | Online Article Text |
id | pubmed-4350708 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507082015-04-03 Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate Çelik, Ísmail Akkurt, Mehmet Jarrahpour, Aliasghar Rad, Javad Ameri Çelik, Ömer Acta Crystallogr E Crystallogr Commun Data Reports The central β-lactam ring of the title compound, C(36)H(24)N(2)O(4), is almost planar (r.m.s. deviation = 0.003 Å) and makes dihedral angles of 17.17 (19), 89.76 (17) and 78.44 (17)° with the benzene ring, the anthracene ring (r.m.s. deviation = 0.003 Å) and the 1H-benzo[de]isoquinoline-1,3(2H)-dione moiety, which is nearly planar [maximum deviation = 0.098 (2) Å], respectively. The molecular structure is stabilized by an intramolecular C—H⋯N hydrogen bond. In the crystal, molecules are linked via C—H⋯π and π–π stacking interactions [centroid–centroid distances = 3.5270 (19) and 3.779 (2) Å], forming a three-dimensional structure. A region of disordered electron density, probably disordered solvent molecules, was treated with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18], which indicated a solvent cavity of 322 Å(3) containing approximately 91 electrons. Their formula mass and unit-cell characteristics were not taken into account during the refinement. International Union of Crystallography 2015-02-13 /pmc/articles/PMC4350708/ /pubmed/25844239 http://dx.doi.org/10.1107/S2056989015002959 Text en © Çelik et al. 2015 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 | Data Reports Çelik, Ísmail Akkurt, Mehmet Jarrahpour, Aliasghar Rad, Javad Ameri Çelik, Ömer Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate |
title | Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate |
title_full | Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate |
title_fullStr | Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate |
title_full_unstemmed | Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate |
title_short | Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate |
title_sort | crystal structure of 2-[(3s,4s)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2h-phenalene-1,3-dione unknown solvate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350708/ https://www.ncbi.nlm.nih.gov/pubmed/25844239 http://dx.doi.org/10.1107/S2056989015002959 |
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