Crystal structure of N-(tert-Butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)cyclohexane carboxamide

Habibi A; Yazdanbakhsh MR; Mousavifar L

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Crystal structure of N-(tert-Butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)cyclohexane carboxamide

机译：N-（叔丁基）-1-（3,5-二氧-2-苯基四氢-4-异恶唑基）环己烷甲酰胺的晶体结构

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The crystal structure of N-(tert-butyl)-1-( 3, 5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been determined. The title compound crystallized in the orthorhombic space group pbca with cell parameters, a = 10.6556(6) angstrom, b = 18.0132(11) angstrom, c = 19.5513(12) angstrom, v = 3752.7( 4) angstrom(3), Z = 8, D-cal = 1.269 Mg/m(3) at T = 120 K. The structure refined by full-matrix least-squares procedures to find R-1 = 0.0463 and wR(2) = 0.0937 for 3059 reflections. The soxazole ring isn't coplanar with the phenyl ring.

机译：已经确定了N-（叔丁基）-1-（3，5-二氧杂-2-苯基四氢-4-异恶唑基）-环己烷-羧酰胺1的晶体结构。标题化合物在正交晶空间群pbca中结晶，其细胞参数为a = 10.6556（6）埃，b = 18.0132（11）埃，c = 19.5513（12）埃，v = 3752.7（4）埃（3），Z = 8，D-cal = 1.269 Mg / m（3），T = 120K。通过全矩阵最小二乘法对结构进行精炼，得出R-1 = 0.0463和wR（2）= 0.0937，可反射3059次反射。 x唑环与苯环不共面。

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《Journal of chemical crystallography》 |2008年第9期|共4页
作者
Habibi A; Yazdanbakhsh MR; Mousavifar L;
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正文语种 eng
中图分类晶体学;
关键词
isoxazole; isocyanide; Alkylidene Meldrum's acid; X-ray analysis; BETA-HYDROXY KETONES; ISOXAZOLINES; DERIVATIVES; REDUCTION; NITRILE; ROUTE; ACID;

机译：异恶唑;异氰化物;亚烷基Meldrum酸;X射线分析;BET羟基酮;异恶唑酮;衍生物;还原;腈;路线;酸;

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1. Crystal structure of N-(tert-Butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)cyclohexane carboxamide [J] . Habibi A, Yazdanbakhsh MR, Mousavifar L Journal of chemical crystallography . 2008,第9期

机译：N-（叔丁基）-1-（3,5-二氧-2-苯基四氢-4-异恶唑基）环己烷甲酰胺的晶体结构
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Crystal structure of N-(tert-Butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)cyclohexane carboxamide

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