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タイトル: Crystal Structure of 4-N,N-Dimethylamino-2,3,5,6-tetrafluorobenzonitrile
著者: Nakagaki, Ryoichi link image
Kohtani, Shigeru
Nakamura, Yuko
Okamura, Michiyo
Kitoh, Sohichi
Kunimoto, Koki link image link image
中垣, 良一
国本, 浩喜
発行日: 2003年
出版社(者): 日本分析化学会 = The Japan Society for Analytical Chemistry
雑誌名: Analytical Sciences: X-ray Structure Analysis Online
ISSN: 1348-2238
巻: 19
開始ページ: x5
終了ページ: x6
抄録: Crystal structure of 4-N,N-dimethylamino-2,3,5,6-tetrafluorobenzonitrile (4F-DMABN) has been determined by X-ray diffraction. This compound crystallizes in the monoclinic system, space group P21/c, with unit cell parameters: a = 4.373(2)Å, b = 10.654(6)Å, c = 20.05(1)Å, β = 92.92(2)°, Z = 4, V = 933.2(9)Å3. The crystal structure was solved by direct methods and refined by full-matrix least squares to final values of R = 0.082 and Rw = 0.089 with 1129 reflections (I>1.20σ(I)). The dimethylamino group is out of the aromatic ring plane. The dihedral angle between the least-squares planes of the aromatic ring and the dimethylamino group is 32.73(5)°. The aromatic ring has a significant quinoid nature.
DOI: 10.2116/analscix.19.x5
URI: http://hdl.handle.net/2297/28462
関連URI: JST.JSTAGE/analscix/19.x5
資料種別: Journal Article
権利関係: Copyright (c) 2003 by The Japan Society for Analytical Chemistry
版表示: publisher

このアイテムを引用あるいはリンクする場合は次の識別子を使用してください。 http://hdl.handle.net/2297/28462



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