Bertolasi V, Gilli P, Ferretti V, Gilli G
Centro di Strutturistica Diffrattometrica and Dipartimento di Chimica, Università di Ferrara, Via L. Borsari 46, 44100 Ferrara, Italy.
Acta Crystallogr B. 2001 Aug;57(Pt 4):591-8. doi: 10.1107/s010876810100814x. Epub 2001 Jul 25.
Preparation and single-crystal X-ray structure determination of three co-crystals of hydrogen squarate, HSQ(-), with 2-aminopyrimidine, 3-aminopyridine and 4-aminopyridine, and one of squarate, SQ(2-), with 8-aminoquinoline are reported. Their crystal packings are analyzed and discussed in terms of the intermolecular O--H...O, N--H...O/N and C--H...O hydrogen bonds formed. Although the fine details of the supramolecular architecture are barely rationalizable, the comparative analysis of the data makes it possible to suggest some simple rules that may be of general application for the packing of hydrogen-bonded crystals, i.e. Rule 1: 'All hydrogen-bond acceptors available in a molecule will be engaged in hydrogen bonding as far as there are available donors'; Rule 2: 'The hydrogen-bond acceptors will be saturated in order of decreasing strength of the hydrogen bonds formed'.
报道了方酸氢根（HSQ⁻）与2-氨基嘧啶、3-氨基吡啶和4-氨基吡啶形成的三种共晶体以及方酸根（SQ²⁻）与8-氨基喹啉形成的一种共晶体的制备和单晶X射线结构测定。根据形成的分子间O—H…O、N—H…O/N和C—H…O氢键对它们的晶体堆积进行了分析和讨论。尽管超分子结构的精细细节几乎无法合理化，但数据的比较分析使得提出一些可能普遍适用于氢键晶体堆积的简单规则成为可能，即规则1：“只要有可用的供体，分子中所有可用的氢键受体都将参与氢键形成”；规则2：“氢键受体将按照形成的氢键强度递减的顺序饱和”。
