Crystal structure of the molecular complex of 3-1-(4-Nitrophenyl)-3-oxobutyl-4-hydroxychromen-2-one with ethanol

Kochetov  AN; Kuzmina  LG

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Crystal structure of the molecular complex of 3-1-(4-Nitrophenyl)-3-oxobutyl-4-hydroxychromen-2-one with ethanol

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The crystal structure of 2,3H-2-methyl-4-(4-nitrophenyl)-5-oxobenzopyrano3,4-edihydropyran-2-ol is investigated using X-ray diffraction. The unit cell contains an ethanol molecule that forms hydrogen bonds with O-H and C=O groups of two molecules of the main compound and acts as a proton donor and a proton acceptor in these hydrogen bonds. Owing to these interactions, infinite chains are formed in the crystal. The crystallographic data for the structure of C19H15NO6 . C2H5OH (M = 399.39) are as follows: the crystals are triclinic, space group P1, a 5.5340(3) angstrom, b = 8.0109(4) angstrom, c = 11.0112(5) angstrom, alpha = 88.773(2)degrees, beta = 84.788(2)degrees, gamma = 79.958(2)degrees. and Z =1.

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《Crystallography reports》 |2007年第4期|668-671|共4页
作者
Kochetov AN; Kuzmina LG;
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作者单位

Lomonosov State Acad Fine Chem Technol, Moscow 119571, Russia;

Russian Acad Sci, NS Kurnakov Gen & Inorgan Chem Inst, Moscow 119991, Russia;

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正文语种英语
中图分类晶体学;
关键词
NUCLEAR-MAGNETIC-RESONANCE; 3-SUBSTITUTED 4-HYDROXYCOUMARINS; ABSOLUTE-CONFIGURATION; WARFARIN; MODEL; ANTICOAGULANTS; PHENPROCOUMON; MECHANISM; COUMARIN;

Crystal structure of the molecular complex of 3-1-(4-Nitrophenyl)-3-oxobutyl-4-hydroxychromen-2-one with ethanol

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