| Crystal Structure of Ethyl 4-benzoyl-1a,2,3,4-tetrahydro-3-methyl-1a-(4-methylphenyl)-1H-azirino〔1,2-a〕〔1,5〕 benzodiazepine-1-carboxylate(C_(28)H_(28)N_2O_3) |
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| 引用本文： | WANG HongZhongXU JiaXiMI BaoYuJIN Sheng* (College of Chemistry and Molecular Engineering,Peking University,Beijing 100871). Crystal Structure of Ethyl 4-benzoyl-1a,2,3,4-tetrahydro-3-methyl-1a-(4-methylphenyl)-1H-azirino〔1,2-a〕〔1,5〕 benzodiazepine-1-carboxylate(C_(28)H_(28)N_2O_3)[J]. 结构化学, 1999, 18(4) |
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| 作者姓名： | WANG HongZhongXU JiaXiMI BaoYuJIN Sheng* (College of Chemistry and Molecular Engineering Peking University Beijing 100871) |
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| 作者单位： | College of Chemistry and Molecular Engineering，Peking University，Beijing 100871 |
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| 摘 要： | １ＩＮＴＲＯＤＵＣＴＩＯＮＢｅｎｚｏｄｉａｚｅｐｉｎｅｃｏｍｐｏｕｎｄｓａｒｅｉｍｐｏｒｔａｎｔｐｈａｒｍａｃｅｕｔｉｃａｌａｇｅｎｔｓ〔１，２〕．Ｒｅｃｅｎｔｌｙｉｔｈａｓｂｅｅｎｆｏｕｎｄｔｈａｔｂｅｎｚｏｄｉａｚｅｐｉｎｅｔｒｉｃｙｃｌｉｃｄｅ...
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Crystal Structure of Ethyl 4-benzoyl-1a,2,3,4-tetrahydro-3-methyl-1a-(4-methylphenyl)-1H-azirino[1,2-a] [1,5]benzodiazepine-1-carboxylate (C28H28N2O3) |
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| WANG Hong-Zhong,XU Jia-Xi,MI Bao-Yu,JIN Sheng. Crystal Structure of Ethyl 4-benzoyl-1a,2,3,4-tetrahydro-3-methyl-1a-(4-methylphenyl)-1H-azirino[1,2-a] [1,5]benzodiazepine-1-carboxylate (C28H28N2O3)[J]. Chinese Journal of Structural Chemistry, 1999, 18(4) |
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| Authors: | WANG Hong-Zhong XU Jia-Xi MI Bao-Yu JIN Sheng |
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| Abstract: | The crystal structure of the title compound, ethyl 4benzoyl1a,2,3,4tetrahydro3methyl1a(4methylphenyl)1Hazirino1,2a1,5benzodiazepine1carboxylate (C28H28N2O3, Mr=440.55), has been determined. It crystallizes in orthorhombic space group Pbca with cell dimensions a=16.407(5), b=16.462(4), c=18.372(9), V=4962.1(5)3, Z=8, Dc=1.180gcm-3, CuK(=1.5418), F(000)=1014, =0.58 mm-1. The structure was solved by direct methods and refined by fullmatrix leastsquares methods, and the final discrepancy factor is 0.058 for 2216 observed reflections. The molecular backbone is a tricyclic system with the central sevenmembered 1,5diazepine ring in twisted boatlike conformation and cisfused to both aziridine ring and benzene ring. |
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| Keywords: | crystal structure azirino[1 2-a][1 5]benzodiazepine 1 5-benzodiazepine |
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