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Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate

In the title compound, C(38)H(28)O(6), the dihedral angles between the naphthalene ring system and its pendant benz­yloxy rings A and B are 88.05 (7) and 80.84 (7)°, respectively. The dihedral angles between the A and B rings and their attached phenyl rings are 49.15 (8) and 80.78 (8)°, respectively...

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Autores principales: Anil Kumar, H., Selvanandan, S., Srinivasa, H. T., Venkateshappa, G., Palakshamurthy, B. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10439419/
https://www.ncbi.nlm.nih.gov/pubmed/37601398
http://dx.doi.org/10.1107/S2056989023005571
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author Anil Kumar, H.
Selvanandan, S.
Srinivasa, H. T.
Venkateshappa, G.
Palakshamurthy, B. S.
author_facet Anil Kumar, H.
Selvanandan, S.
Srinivasa, H. T.
Venkateshappa, G.
Palakshamurthy, B. S.
author_sort Anil Kumar, H.
collection PubMed
description In the title compound, C(38)H(28)O(6), the dihedral angles between the naphthalene ring system and its pendant benz­yloxy rings A and B are 88.05 (7) and 80.84 (7)°, respectively. The dihedral angles between the A and B rings and their attached phenyl rings are 49.15 (8) and 80.78 (8)°, respectively. In the extended structure, the mol­ecules are linked by weak C—H⋯O and C—H⋯π hydrogen bonds, and π–π stacking inter­actions, which variously generate C(11) chains and R (2) (2)(12) loops as part of a three-dimensional network. The Hirshfeld surface [fingerprint contributions = H⋯H (42.3%), C⋯H/H⋯C (40.3%) and O⋯H/H⋯O (15.7%)] and inter­molecular inter­action energies are reported, with dispersion (E (dis) = −428.6 kJ mol(−1)) being the major contributor.
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spelling pubmed-104394192023-08-20 Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate Anil Kumar, H. Selvanandan, S. Srinivasa, H. T. Venkateshappa, G. Palakshamurthy, B. S. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(38)H(28)O(6), the dihedral angles between the naphthalene ring system and its pendant benz­yloxy rings A and B are 88.05 (7) and 80.84 (7)°, respectively. The dihedral angles between the A and B rings and their attached phenyl rings are 49.15 (8) and 80.78 (8)°, respectively. In the extended structure, the mol­ecules are linked by weak C—H⋯O and C—H⋯π hydrogen bonds, and π–π stacking inter­actions, which variously generate C(11) chains and R (2) (2)(12) loops as part of a three-dimensional network. The Hirshfeld surface [fingerprint contributions = H⋯H (42.3%), C⋯H/H⋯C (40.3%) and O⋯H/H⋯O (15.7%)] and inter­molecular inter­action energies are reported, with dispersion (E (dis) = −428.6 kJ mol(−1)) being the major contributor. International Union of Crystallography 2023-07-04 /pmc/articles/PMC10439419/ /pubmed/37601398 http://dx.doi.org/10.1107/S2056989023005571 Text en © Anil Kumar et al. 2023 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Research Communications
Anil Kumar, H.
Selvanandan, S.
Srinivasa, H. T.
Venkateshappa, G.
Palakshamurthy, B. S.
Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate
title Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate
title_full Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate
title_fullStr Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate
title_full_unstemmed Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate
title_short Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate
title_sort synthesis, crystal structure and hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yl­oxy)benzoate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10439419/
https://www.ncbi.nlm.nih.gov/pubmed/37601398
http://dx.doi.org/10.1107/S2056989023005571
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