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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-10439419 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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