| 3-苯基喹唑啉-4(3H)-酮的合成及晶体结构 |
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| 引用本文： | 史达清,王香善,屠树江,胡宏纹. 3-苯基喹唑啉-4(3H)-酮的合成及晶体结构[J]. 结构化学, 2003, 22(5): 581-584 |
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| 作者姓名： | 史达清 王香善 屠树江 胡宏纹 |
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| 作者单位： | 徐州师范大学化学系,江苏,徐州,221116;南京大学化学系,江苏,南京,210093;徐州师范大学化学系,江苏,徐州,221116;南京大学化学系,江苏,南京,210093 |
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| 基金项目： | 江苏省教育厅自然科学基金,江苏省有机合成重点实验室开放基金资助项目 |
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| 摘 要： | 标题化合物C14H10ON2是由邻硝基苯甲酰苯胺与原甲酸三乙酯在低价钛试剂作用下反应而得。结构通过单晶X-射线衍射分析确定, 其晶体属于单斜晶系, 空间群P21/c, a = 12.080(2), b = 7.793(1), c = 11.599(1) ? b = 97.56(1), Mr = 222.24, V = 1082.4(2) ?, Dc = 1.364 g/cm3, Z = 4, m(MoKa) = 0.88 mm-1, F(000) = 464, R = 0.0385, wR = 0.0851。X-衍射分析表明: 平面I (C(1)~C(6))与平面II (C(9)~C(14))之间的夹角为124.38; 平面I与平面III (ON(1)?N(2)C(7)C(8)C(9)C(14))之间的两面角为125.47; 平面II与平面III之间的两面角为2.76。
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| 关 键 词： | 喹唑啉-4(3H)-酮 合成 晶体结构 |
Synthesis and Crystal Structure of 3-Phenylquinazalin-4(3H)-one |
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| SHI Da-Qinga,b WANG Xiang-Shana TU Shu-Jianga HU Hong-Wenb a. Synthesis and Crystal Structure of 3-Phenylquinazalin-4(3H)-one[J]. Chinese Journal of Structural Chemistry, 2003, 22(5): 581-584 |
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| Authors: | SHI Da-Qinga b WANG Xiang-Shana TU Shu-Jianga HU Hong-Wenb a |
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| Abstract: | The title compound (C14H10ON2) was synthesized by the reaction of o-nitrobenzoyl aniline and triethyl orthoformate induced by low-valent titanium and its structure has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a=12.080(2), b = 7.793(1), c = 11.599(1) ? b = 97.56(1), Mr = 222.24, V = 1082.4(2) ?, Dc = 1.364 g/cm3, Z = 4, m(MoK? = 0.88 mm-1, F(000) = 464, R = 0.0385 and wR = 0.0851. The results of X-ray analysis reveal that there exist three planes in the molecule and the dihedrals between planes I (C(1)~C(6)) and II (C(9)~C(14)), I and III (ON(1)N(2)C(7)C(8)?C(9)C(14)), and II and III are 124.38, 125.47 and 2.76, respectively. |
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| Keywords: | quinazolin-4(3H)-one synthesis crystal structure |
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