N-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid - a salt, a cocrystal or both?

Fangfang Pan; Irmgard Kalf

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N-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid - a salt, a cocrystal or both?

机译：N-（6-甲基吡啶-2-基）Mesitylenesul氟酰胺和乙酸 - 盐，Cocrystal或两者？

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In the solid obtained from N-(6-methylpyridin-2-yl)mesitylenesulfonamide and acetic acid, the constituents interact via two N—H ? -O hydrogen bonds. The H atom situated in one of these short contacts is disordered over two positions: one of these positions is formally associated with an adduct of the neutral sulfonamide molecule and the neutral acetic acid molecule, and corresponds to a cocrystal, while the alternative site is associated with salt formation between a protonated sulfonamide molecule and deprotonated acetic acid molecule. Site-occupancy refinements and electron densities from difference Fourier maps suggest a trend with temperature, albeit of limited significance; the cocrystal is more relevant at 100 K, whereas the intensity data collected at room temperature match the description as cocrystal and salt equally well.

机译：在由N-（6-甲基吡啶-2-基）的固体和乙酸中获得的固体中，组分通过两个N-H相互作用。 -O氢键。位于这些短触点之一的H原子在两个位置上进行混乱：这些位置之一与中性磺酰胺分子和中性乙酸分子的加合物具有与之相处的，并且对应于COCrystal，而替代部位相关在质子化磺酰胺分子和去质子化乙酸分子之间的盐形成。差异傅里叶地图的现场占用改进和电子密度表明了温度的趋势，尽管有限的重要性; 通过100 k更相关的Cocrystal，而在室温下收集的强度数据与单晶和盐同样良好地匹配。

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《Acta crystallographica. Section C, Structural chemistry.》 |2015年第8期|共5页
作者
Fangfang Pan; Irmgard Kalf;
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Department of Chemistry NanaoScience Center University of Jyvaskyla PO Box 35 40014 Jyvaskyla;

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正文语种 eng
中图分类晶体学;
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1. N-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid - a salt, a cocrystal or both? [J] . Pan Fangfang, Kalf Irmgard, Englert Ulli Acta crystallographica. Section F, Structural biology communications . 2015,第8期

机译：N-（6-甲基吡啶-2-基）Mesitylenesul氟酰胺和乙酸 - 盐，Cocrystal或两者？
2. Exploration of salts and cocrystals of 2,2′,6,6′- tetracarboxybiphenyl with acetic acid, monobasic and dibasic N-heterocycles, and N-oxides [J] . Roy S., Biradha K. Crystal growth & design . 2013,第7期

机译：2,2'，6,6'-四羧基联苯与乙酸，一元和二元N-杂环和N-氧化物的盐和共晶体的探索
3. Vibrational Spectroscopic Studies of Cocrystals and Salts. 3. Cocrystal Products Formed by Benzenecarboxylic Acids and Their Sodium Salts [J] . Brittain HG Crystal growth & design . 2010,第4期

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4. Structural investigation of cocrystal, salt and monohydrated salt of chloranilic acid with different donors: A theoretical study [C] . Ziya Afroz, Mohd. Faizan, Shabbir Ahmad, International Conference on Advances in Basic Sciences . 2019

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5. PROPIONIC AND ACETIC ACIDS FERMENTATION USING PROPIONIBACTERIUM ACIDI-PROPIONICI IN BATCH AND CONTINUOUS CULTURE. [D] . NAJAFPOUR-DARZI, GHASEM. 1983

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6. Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid (4-fluorophenoxy)acetic acid and (4-chloro-2-methylphenoxy)acetic acid [O] . Graham Smith 2014

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N-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid - a salt, a cocrystal or both?

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