Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone]
The title compound, C28H22Br2O4, crystallizes in the monoclinic space group P21/c at 193 K. The two 4-bromobenzoyl groups are attached in a non-coplanar fashion to the naphthalene ring system and are oriented in opposite directions. The two 4-bromobenzene rings are tilted almost symmetrically with r...
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International Union of Crystallography
2024-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S205698902401123X |
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| author | Kun Li Jiali Yao Hiroaki Iitsuka Noriyuki Yonezawa Akiko Okamoto |
| author_facet | Kun Li Jiali Yao Hiroaki Iitsuka Noriyuki Yonezawa Akiko Okamoto |
| author_sort | Kun Li |
| collection | DOAJ |
| description | The title compound, C28H22Br2O4, crystallizes in the monoclinic space group P21/c at 193 K. The two 4-bromobenzoyl groups are attached in a non-coplanar fashion to the naphthalene ring system and are oriented in opposite directions. The two 4-bromobenzene rings are tilted almost symmetrically with respect to the naphthalene ring system. The crystal packing features several kinds of non-classical hydrogen bonds such as C—H...X (X = polar atom), in which the C—H group acts as a hydrogen-atom donor, and C—H...π interactions. The two-dimensional fingerprint plots generated in a Hirshfeld surface analysis show non-classical hydrogen bonding with short contacts involving the bromo group. |
| format | Article |
| id | doaj-art-e7d114a3cae84191962c62fd6a069422 |
| institution | OA Journals |
| issn | 2056-9890 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-e7d114a3cae84191962c62fd6a0694222025-08-20T02:19:08ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902024-12-0180121313131710.1107/S205698902401123Xjp2015Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone]Kun Li0Jiali Yao1Hiroaki Iitsuka2Noriyuki Yonezawa3Akiko Okamoto4Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588, JapanDepartment of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588, JapanDepartment of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588, JapanDepartment of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588, JapanDepartment of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588, JapanThe title compound, C28H22Br2O4, crystallizes in the monoclinic space group P21/c at 193 K. The two 4-bromobenzoyl groups are attached in a non-coplanar fashion to the naphthalene ring system and are oriented in opposite directions. The two 4-bromobenzene rings are tilted almost symmetrically with respect to the naphthalene ring system. The crystal packing features several kinds of non-classical hydrogen bonds such as C—H...X (X = polar atom), in which the C—H group acts as a hydrogen-atom donor, and C—H...π interactions. The two-dimensional fingerprint plots generated in a Hirshfeld surface analysis show non-classical hydrogen bonding with short contacts involving the bromo group.https://journals.iucr.org/paper?S205698902401123Xnon-coplanar aromatic ringssymmetric spatial organizationnon-classical hydrogen bondsbromo...hydrogen/carbon short contactshirshfeld surface analysiscrystal structure |
| spellingShingle | Kun Li Jiali Yao Hiroaki Iitsuka Noriyuki Yonezawa Akiko Okamoto Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone] Acta Crystallographica Section E: Crystallographic Communications non-coplanar aromatic rings symmetric spatial organization non-classical hydrogen bonds bromo...hydrogen/carbon short contacts hirshfeld surface analysis crystal structure |
| title | Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone] |
| title_full | Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone] |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone] |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone] |
| title_short | Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone] |
| title_sort | crystal structure and hirshfeld surface analysis of 2 7 diethoxynaphthalene 1 8 diyl bis 4 bromophenyl methanone |
| topic | non-coplanar aromatic rings symmetric spatial organization non-classical hydrogen bonds bromo...hydrogen/carbon short contacts hirshfeld surface analysis crystal structure |
| url | https://journals.iucr.org/paper?S205698902401123X |
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