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ID 58052
フルテキストURL
著者
Gotoh, Kazuma Department of Chemistry, Faculty of Science, Okayama University Kaken ID researchmap
Ishida, Hiroyuki Department of Chemistry, Faculty of Science, Okayama University Kaken ID publons researchmap
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.
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
発行日
2019-12
出版物タイトル
Acta Crystallographica Section E: Crystallographic Communications
75巻
出版者
International Union of Crystallography
開始ページ
1853
ISSN
2056-9890
資料タイプ
学術雑誌論文
言語
English
OAI-PMH Set
岡山大学
著作権者
2019 authors
論文のバージョン
publisher
PubMed ID
DOI
Web of Science KeyUT
関連URL
isVersionOf https://doi.org/10.1107/S205698901901497X
ライセンス
https://creativecommons.org/licenses/by/4.0/