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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Differences and similarities among hypoxanthinium nitrate hydrate structures
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Differences and similarities among hypoxanthinium nitrate hydrate structures

机译：硝酸异天水合物结构中的差异和相似性

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摘要

Crystals of hypoxanthinium (6‐oxo‐1 H ,7 H ‐purin‐9‐ium) nitrate hydrates were investigated by means of X‐ray diffraction at different temperatures. The data for hypoxanthinium nitrate monohydrate (C 5 H 5 N 4 O + ·NO 3 ? ·H 2 O, Hx1 ) were collected at 20, 105 and 285?K. The room‐temperature phase was reported previously [Schmalle et al. (1990). Acta Cryst. C 46 , 340–342] and the low‐temperature phase has not been investigated yet. The structure underwent a phase transition, which resulted in a change of space group from Pmnb to P 2 1 / n at lower temperature and subsequently in nonmerohedral twinning. The structure of hypoxanthinium dinitrate trihydrate (H 3 O + ·C 5 H 5 N 4 O + ·2NO 3 ? ·2H 2 O, Hx2 ) was determined at 20 and 100?K, and also has not been reported previously. The Hx2 structure consists of two types of layers: the `hypoxanthinium nitrate monohydrate' layers (HX) observed in Hx1 and layers of Zundel complex H 3 O + ·H 2 O interacting with nitrate anions (OX). The crystal can be considered as a solid solution of two salts, i.e. hypoxanthinium nitrate monohydrate, C 5 H 5 N 4 O + ·NO 3 ? ·H 2 O, and oxonium nitrate monohydrate, H 3 O + (H 2 O)·NO 3 ? .
机译：通过在不同温度下的X射线衍射研究了次黄嘌呤（6-氧代-1h，7h，7h -purin-9-Ium）硝酸水合物的晶体。收集在20,105和285℃下收集硝酸盐硝酸盐硝酸盐一水合物（C 5 H 5 N 4 O +·No 3？·H 2 O，HX1）。预先报道了室温阶段[Schmalle等人。 （1990）。 acta晶体。尚未研究C 46,340-342]和低温阶段。该结构接受了相转变，导致在较低温度下从PMNB到P 2 1 / N的空间组的变化，随后在非MOROHEDRAL孪晶中。在20和100μl，测定二硫酸二硝酸二水合物（H 3 O +·C 5 H 5 N 4 O +·2×2 O，HX2）的结构（H 3 O +·C 5 H 5 N 4 O +·2），并尚未报道。 HX2结构由两种类型的层组成：在HX1和Zundel络合物H 3 O +·H 2 O中观察到的“硝酸盐硝酸盐一水合物”层（HX）与硝酸盐阴离子（OX）相互作用。晶体可以被认为是两种盐的固溶体，即硝酸异天一水合物，C 5 H 5 N 4 O +·NO 3？ ·H 2 O，硝酸氧铵一水合物，H 3 O +（H 2 O）·否3？ 。

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