2-氨基-4-(3-异丁基-1-苯基- 1h -吡唑-4-基)-7,7-二甲基-5-氧-5,6,7,8-四氢-4- h -铬-3-碳腈的合成与晶体结构

IF 0.5 Q4 CRYSTALLOGRAPHY
Hagar T. Salama, Mamdouh A. Abu-Zaied, Rasha A. Azzam, Ali M. S. Hebishy, Galal H. Elgemeie, Peter G. Jones
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引用次数: 0

摘要

标题化合物C25H28N4O2在Z = 4的P1空间群中结晶。这两个独立的分子通过近似平移(x + 1, y + 1, z)联系在一起,但在苯基取代基的取向上不同。晶体是非单面孪晶,绕c*旋转180°。在改性铬环体系中,两个形式双键是最短的碳碳键。氧环呈扁平的船形,而另一个环则近似为扁平的包络,cme2c原子在平面外。分子之间通过经典的N-H⋯Npyrazole氢键连接,形成平行于[110]的交替独立分子带。带由弱的吡唑- h⋯腈氢键连接,在z≃3/4区域形成平行于ab平面的层状结构。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Synthesis and crystal structure of 2-amino-4-(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbo­nitrile
The title com­pound, C25H28N4O2, crystallizes in space group P1 with Z = 4. The two independent mol­ecules are related by the approximate translation (x + 1, y + 1, z), but differ in the orientation of the phenyl substituent. Crystals are non-merohedrally twinned by a 180° rotation about c*. In the modified chromene ring systems, the two formal double bonds are the shortest C—C bonds. The oxo ring displays a flattened boat conformation, whereas the other ring is approximately a flattened envelope, with the CMe2 C atom out of the plane. The mol­ecules are connected by classical N—H⋯Npyrazole hy­dro­gen bonds to form a ribbon of alternating independent mol­ecules parallel to [110]. The ribbons are joined by weak Cpyrazole—H⋯Nnitrile hy­dro­gen bonds to form a layer structure parallel to the ab plane in the region z ≃ 3/4.
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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