4-氧- n -苯基-4- h -铬-2-羧酰胺和7-甲氧基-4-氧- n -对-甲基-4- h -铬-2-羧酰胺及其半水合物的新多晶。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-13 DOI:10.1107/S0108270113029727

Joana Reis, Alexandra Gaspar, Fernanda Borges, Ligia R Gomes, John Nicolson Low

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引用次数: 4

摘要

4-氧- n -苯基- 4h -chromene-2-carboxamide (C16H11NO3)在P2(1)/n空间基团上结晶，其衍生物7-甲氧基-4-氧- n -p-tolyl- 4h -chromene-2-carboxamide (C18H15NO4)形成两个多晶型，在P2(1)/c和P1空间基团上结晶。该结构在C-N键周围具有反旋构象;然而，酰胺O原子可以与吡喃环的O原子反式或顺式相连。后一种化合物在C2/c空间群中也结晶为半水化合物C18H15NO4·0.5H2O。这种化合物与未溶剂化的化合物具有相似的结构。

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4-Oxo-N-phenyl-4H-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-N-p-tolyl-4H-chromene-2-carboxamide and its hemihydrate.

4-Oxo-N-phenyl-4H-chromene-2-carboxamide, C16H11NO3, crystallizes in the space group P2(1)/n and its derivative 7-methoxy-4-oxo-N-p-tolyl-4H-chromene-2-carboxamide, C18H15NO4, forms two polymorphs which crystallize in the space groups P2(1)/c and P1. The structures have an anti-rotamer conformation about the C-N bond; however, the amide O atom can be either trans- or cis-related to the O atom of the pyran ring. The latter compound also crystallizes as a hemihydrate, C18H15NO4·0.5H2O, in the space group C2/c. This compound has a similar structure to that of the unsolvated compound.

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来源期刊

Acta crystallographica. Section C, Crystal structure communications 化学-晶体学

自引率

12.50%

发文量

审稿时长

1 months

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.