ID | 58052 |
フルテキストURL | |
著者 |
Ishida, Hiroyuki
Department of Chemistry, Faculty of Science, Okayama University
Kaken ID
publons
researchmap
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抄録 | The title compound, C9H7.5NO center dot C7H3.5ClNO4, was analysed as a disordered structure over two states, viz. co-crystal and salt, accompanied by a keto-enol tautomerization in the base molecule. The co-crystal is 4-chloro-2-nitrobenzoic acid-quinolin-4(1H)-one (1/1), C7H4ClNO4 center dot C9H7NO, and the salt is 4-hydroxy-quinolinium 4-chloro-2-nitrobenzoate, C9H8NO+center dot C7H3ClNO4. In the compound, the acid and base molecules are held together by a short hydrogen bond [O center dot center dot center dot O = 2.4393 (15) angstrom], in which the H atom is disordered over two positions with equal occupancies. In the crystal, the hydrogen-bonded acid-base units are linked by N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, forming a tape structure along the a-axis direction. The tapes are stacked into a layer parallel to the ab plane via pi-pi interactions [centroid-centroid distances = 3.5504 (8)-3.9010 (11) angstrom]. The layers are further linked by another C-H center dot center dot center dot O hydrogen bond, forming a three-dimensional network. Hirshfeld surfaces for the title compound mapped over shape-index and d orm were generated to visualize the intermolecular interactions.
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キーワード | crystal structure
4-chloro-2-nitro-benzoic acid
4(1H)-quinolinone
4-hydroxy-quinoline
hydrogen bond
keto-enol tautomerization
Hirshfeld surface
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発行日 | 2019-12
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出版物タイトル |
Acta Crystallographica Section E: Crystallographic Communications
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巻 | 75巻
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出版者 | International Union of Crystallography
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開始ページ | 1853
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ISSN | 2056-9890
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資料タイプ |
学術雑誌論文
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言語 |
英語
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OAI-PMH Set |
岡山大学
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著作権者 | 2019 authors
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論文のバージョン | publisher
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PubMed ID | |
DOI | |
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関連URL | isVersionOf https://doi.org/10.1107/S205698901901497X
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ライセンス | https://creativecommons.org/licenses/by/4.0/
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