| Synthesis and Crystal Structure of 2-p-Methyloxyphenyl- 3a-（2-phenyl-1,2,3-triazole-4-yl）-3,4-dihydro-1,2,4- oxa-diazolo[4,5-d][1,5] Benzothiazepine |
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| 引用本文： | 徐峰,刘方明,沈良,刘罡,杨春,陈遒.Synthesis and Crystal Structure of 2-p-Methyloxyphenyl- 3a-（2-phenyl-1,2,3-triazole-4-yl）-3,4-dihydro-1,2,4- oxa-diazolo[4,5-d][1,5] Benzothiazepine[J].结构化学,2007,26(9):1061-1065. |
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| 作者姓名： | 徐峰 刘方明 沈良 刘罡 杨春 陈遒 |
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| 作者单位： | College of Chemistry and Chemical Engineering Xinjiang University，College of Chemistry and Chemical Engineering Xinjiang University，Department of Chemistry Hangzhou Teachers College 310036 China，Department of Chemistry Hangzhou Teachers College 310036 China，College of Chemistry and Chemical Engineering Xinjiang University，College of Chemistry and Chemical Engineering Xinjiang University，College of Chemistry and Chemical Engineering Xinjiang University，Wulumuqi 830046 China，Wulumuqi 830046 China，Wulumuqi 830046 China，Wulumuqi 830046 China，Wulumuqi 830046 China |
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| 摘 要： | The title compound2-p-methyloxyphenyl-3a-(2-phenyl-1,2,3-triazole-4-yl)-3,4- dihydro-1,2,4-oxa-diazolo4,5-d]1,5] benzothiazepine (C31H25N5O2S, Mr = 531.63) has been syn- thesized and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 10.888(2), b = 15.115(3), c = 16.702(3), α = 99.90(3), β = 95.21(3), γ = 100.41(3)o, V = 2642.1(9) nm3, Dc = 1.336 g/cm3, Z = 4, F(000) = 1112, μ = 0.162 mm-1 ,λ(MoKα) = 0.071073 nm, R = 0.0357 and wR = 0.1126 for 10620 observed reflections with I > 2σ(I). X-ray analysis reveals that the molecular backbone consists of a tricyclic system with the central seven- membered ring in a twisted boat-like conformation.
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| 关 键 词： | 1 5-苯噻嗪化物 2-苯基-1 2 3-三唑 1 2 4-氧杂二唑 晶体结构 |
| 收稿时间： | 2006-09-27 |
| 修稿时间： | 2006-11-23 |
Synthesis and Crystal Structure of 2-P-Methyloxyphenyl-3a-(2-phenyl-1,2,3-triazole-4-yl)-3,4-dihydro-1,2,4-oxa-diazolo[4,5-d][1,5] Benzothiazepine |
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| XU Feng,LIU Fang-Ming,SHEN Liang,LIU Gang,YANG Chun,CHEN Qiu.Synthesis and Crystal Structure of 2-P-Methyloxyphenyl-3a-(2-phenyl-1,2,3-triazole-4-yl)-3,4-dihydro-1,2,4-oxa-diazolo[4,5-d][1,5] Benzothiazepine[J].Chinese Journal of Structural Chemistry,2007,26(9):1061-1065. |
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| Authors: | XU Feng LIU Fang-Ming SHEN Liang LIU Gang YANG Chun CHEN Qiu |
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| Abstract: | The title compound2-p-methyloxyphenyl-3a-(2-phenyl-1,2,3-triazole-4-yl)-3,4-dihydro-1,2,4-oxa-diazolo4,5-d]1,5] benzothiazepine (C31H25N5O2S, Mr - 531.63) has been synthesized and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1- with a = 10.888(2), b = 15.115(3), c = 16.702(3) (A), α = 99.90(3), β = 95.21(3), γ = 100.41(3)° , V = 2642.1(9) nm3, Dc = 1.336 g/cm3, Z = 4, F(000) = 1112, μ= 0.162 mm-1 ,λ(MoKα) = 0.071073 nm, R= 0.0357 and wR= 0.1126 for 10620 observed reflections with Ⅰ＞2σ(Ⅰ). X-ray analysis reveals that the molecular backbone consists of a tricyclic system with the central seven- membered ring in a twisted boat-like conformation. |
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| Keywords: | 1 5-benzothiazepine 2-phenyl-1 2 3-triazole 1 2 4-oxadiazole crystal structure Crystal Structure analysis molecular system central ring conformation space group crystal synthesized structure diffraction |
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