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首页> 外文期刊>Journal of Chemical Crystallography >Crystal and Molecular Structure Studies of 1′-Benzyl-8-(4-fluorobenzyl)-8-azaspiro[bicyclo-[3.2.1]octane-3,4′-imidazolodine]-2′,5′-dione
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Crystal and Molecular Structure Studies of 1′-Benzyl-8-(4-fluorobenzyl)-8-azaspiro[bicyclo-[3.2.1]octane-3,4′-imidazolodine]-2′,5′-dione

机译:1'-苄基-8-(4-氟苄基)-8-氮杂螺[双环-[3.2.1]辛烷-3,4'-咪唑啉] -2',5'-二酮的晶体与分子结构研究

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摘要

Abstract The title compound, C23H23FN3O2 has been synthesized and the structure was investigated by X-ray diffraction studies. The compound crystallizes in the triclinic crystal class in the space group P[`1]Poverline{1} with cell parameters a = 9.345(2) Å, b = 10.940(3) Å, c = 11.986(4) Å, α = 72.349(6)°, β = 68.106(18)°, γ = 66.867(5)°, Z = 2 and V = 1027.8(5) Å3. The hydantoin ring adopts a planar conformation and is affected by the π conjugation. The pyrrolidine and piperidine rings in the bicyclo octane moiety adopt envelope and chair conformations respectively. The structure exhibits both inter and intramolecular hydrogen bonds of the type N–H···O, C–H···O and C–H···N. One of the oxygen atoms attached to the hydantoin ring simultaneously accepts two hydrogen bonds to form a three centered hydrogen bonding pattern.
机译:摘要合成了标题化合物C 23 H 23 FN 3 O 2 ,并对其结构进行了研究。 X射线衍射研究。该化合物在空间参数P [`1] Poverline {1}的三斜晶系​​晶体中结晶,单元参数a = 9.345(2)Å,b = 10.940(3)Å,c = 11.986(4)Å,α= 72.349(6)°,β= 68.106(18)°,γ= 66.867(5)°,Z = 2,V = 1027.8(5)Å 3 。乙内酰脲环具有平面构象,并受π共轭影响。双环辛烷部分中的吡咯烷环和哌啶环分别采用包膜和椅子构象。该结构同时显示出NH–H··O,CH–H··O和CH–H··N的分子间和分子内氢键。乙内酰脲环上连接的氧原子之一同时接受两个氢键形成三个中心的氢键模式。

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