Structure of 4-(2-chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone. X-ray and NMR study

Haasbroek PP.; Carpy AJM.; Oliver DW.

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Structure of 4-(2-chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone. X-ray and NMR study

机译：4-（2-氯-4,5-二甲氧基亚苄基）-2-甲基-5-恶唑酮的结构。 X射线和NMR研究

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The azlactone of 6-chloroveratraldehyde 3 (4-(2-chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone) was synthesized from 6-chloroveratraldehyde 2 and its structure investigated using X-ray crystallographic and nuclear magnetic resonance methods. Compound 3 crystallized in the P2(1)/c (#14) space group (Z = 4) with cell dimensions a = 9.148(2), b = 22.938(2), c = 6.707(1) Angstrom, and beta = 111.50(2)degrees. The X-ray study shows that azlactone 3 exists as the Z-isomer and crystallizes as a planar structure, i.e., both the phenyl and azlactone ring systems, as well as the functional groups attached to them, lie in the same plane. The H-1 and C-13 NMR spectral values also support the formation of the Z-isomer only, during the synthesis of 4-(2-chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone. [References: 8]

机译：由6-氯藜芦醛2合成6-氯藜芦醛3（4-（2-氯-4,5-二甲氧基亚苄基）-2-甲基-5-恶唑酮）的内酯，并通过X射线晶体学和核磁共振研究其结构。方法。化合物3在P2（1）/ c（＃14）空间组（Z = 4）中结晶，其晶胞尺寸为a = 9.148（2），b = 22.938（2），c = 6.707（1）埃和beta = 111.50（2）度X射线研究表明，a内酯3以Z-异构体的形式存在并结晶为平面结构，即苯基和z内酯环系统以及与其相连的官能团均位于同一平面上。在合成4-（2-氯-4,5-二甲氧基亚苄基）-2-甲基-5-恶唑酮期间，H-1和C-13 NMR光谱值也仅支持Z-异构体的形成。 [参考：8]

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《Journal of chemical crystallography》 |1998年第11期|共4页
作者
Haasbroek PP.; Carpy AJM.; Oliver DW.;
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正文语种 eng
中图分类晶体学;
关键词
X-ray; Nmr; Z-isomer; Azlactone; Veratraldehyde;

机译：X射线;Nmr;Z异构体;A内酯;藜芦醛;

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1. Structure of 4-(2-chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone. X-ray and NMR study [J] . Haasbroek PP., Carpy AJM., Oliver DW. Journal of chemical crystallography . 1998,第11期

机译：4-（2-氯-4,5-二甲氧基亚苄基）-2-甲基-5-恶唑酮的结构。 X射线和NMR研究
2. DITIN(IV) CHALCOGENIDE ANIONS - SE-77, SN-119, AND TE-125 SOLUTION NMR STUDY OF THE SN(2)CH(6)(4-) AND SN(2)CH(7)(4-) (CH=SE, TE) ANIONS, X-RAY CRYSTAL STRUCTURES AND RAMAN SPECTRA OF K+(N(CH3)(4)(+))(3)SN2SE64-, (ENH(+))(2)(2,2,2-CRYPT-K+)(2)SN2SE64 [J] . Campbell J., Gerken M., Mercier HPA., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 1996,第10期

机译：SN（2）CH（6）（4-）和SN（2）CH（7）（4-）的Ditin（IV）硫属阴离子-SE-77，SN-119和TE-125溶液NMR研究CH = SE，TE）阴离子，X +晶体结构和K +（N（CH3）（4）（+）（3）SN2SE64-，（ENH（+））（2）（2,2， 2-加密-K +）（2）SN2SE64
3. First Examples of Thallium Chalcogenide Cages. Syntheses, ~77Se, ~203Tl, and ~205Tl NMR Study of the Tl_4Se_5~(4-) and Tl_4Se_6~(4-) Anions, the X-ray Crystal Structure of (2,2,2-crypt-K~+)_3Tl_5Se_5~93-), and Theoretical Studies [J] . Janette Campbell, Helene P.A.Mercier, David P.Santry, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2001,第2期

机译：Cha硫属化物笼的第一例。 Tl_4Se_5〜（4-）和Tl_4Se_6〜（4-）阴离子，（2,2,2-crypt-K〜+）的X射线晶体结构的合成，〜77Se，〜203Tl和〜205Tl NMR研究_3Tl_5Se_5〜93-）和理论研究
4. Dynamic NMR and Theoretical Study of Hindered Internal Rotation about the C-N Bond in 4-(phenyl) acetyl Morpholine [C] . Mahdiye Bazargani, Mohsen Tafazzoli International Conference on Biomedical Engineering and Technology . 2013

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5. Local and long range structure: Studies of oxygen ion conductors through the use of solid state oxygen-17 and gallium-71 NMR spectroscopy and X-ray Powder Diffraction [D] . Palumbo, John Luigi 2007

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6. Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study. [O] . G R Clark, D G Brown, M R Sanderson, 1990

机译：寡核苷酸d（ATGCGCAT）2的晶体和溶液结构：结合X射线和NMR研究。
7. Studies of azo and azoxy dyestuffs. Part 17. Synthesis and structure determination of isomeric α and β phenylazoxypyridines, N-oxides, and methiodides. A reexamination of the oxidation of phenylazopyridines and X-ray structure analyses of 4-(phenyl-α-azoxy)pyridinium methiodide and 4-(phenyl-β-azoxy)pyridine-N-oxide [O] . E. Buncel, S. R. Keum, M. Cygler, 1984

机译：偶氮和氮杂染料的研究。第17部分。异构α和β苯基氮杂物，N-氧化物和甲碘化物的合成和结构测定。重复氧化苯基吡啶和X射线结构分析的4-（苯基-α-氮杂）吡啶鎓和4-（苯基-β-氮杂氧基）吡啶-N氧化物
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Structure of 4-(2-chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone. X-ray and NMR study

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