| Synthesis and Crystal Structure of Cis-syn Cyclobutane 1-（Carboxyethyl）thymine Dimer Monopentyl Amide Monotryptophan Methyl Ester Amide |
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| 引用本文： | 汤文建,宋海斌,宋钦华. Synthesis and Crystal Structure of Cis-syn Cyclobutane 1-（Carboxyethyl）thymine Dimer Monopentyl Amide Monotryptophan Methyl Ester Amide[J]. 结构化学, 2007, 26(4): 381-384 |
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| 作者姓名： | 汤文建 宋海斌 宋钦华 |
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| 作者单位： | [1]Department of Chemistry, University of ＆,ience and Technology of China, Hefei 230026, China [2]Institute and State Key Laboratory of Elemento-organic Chemistry,Nankai University, Tianjin 300071, China |
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| 摘 要： | The crystal structure of the title compound (C34H47N7O9, Mr = 697.79) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21 with a = 9.000(8), b = 11.360(10), c = 17.841(15) , β = 97.083(14)°, V = 1810(3) 3, Z = 2, F(000) = 744, Dc = 1.280 g/cm3, μ = 0.094 mm-1, the final R = 0.0721 and wR = 0.1942 for 2479 observed reflections with I > 2σ(I). The two methyl groups attached to the cyclobutane ring are cis oriented. An intramolecular hydrogen bond (N(6)-H(6)…O(8)) introduces rigidity into the title molecule and the crystal structure is stabilized by intermolecular N-H…O hydrogen bonds.
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| 关 键 词： | Cis-syn环丁烷型胸腺嘧啶二聚体 单戊基酰胺 单色氨酸甲酯 合成 晶体结构 DNA光解酶 |
Synthesis and Crystal Structure of Cis-syn Cyclobutane 1-(Carboxyethyl)thymine Dimer Monopentyl Amide Monotryptophan Methyl Ester Amide |
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| TANG Wen-Jian,SONG Hai-Bin,SONG Qin-Hua. Synthesis and Crystal Structure of Cis-syn Cyclobutane 1-(Carboxyethyl)thymine Dimer Monopentyl Amide Monotryptophan Methyl Ester Amide[J]. Chinese Journal of Structural Chemistry, 2007, 26(4): 381-384 |
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| Authors: | TANG Wen-Jian SONG Hai-Bin SONG Qin-Hua |
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| Abstract: | The crystal structure of the title compound (C34H47N7O9, Mr=697.79) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21 with a=9.000(8), b=11.360(10), c=17.841(15)(A), β=97.083(14)°, V=1810(3) (A)3, Z=2, F(000)=744, Dc=1.280 g/cm3, μ=0.094 mm-1, the final R=0.0721 and wR=0.1942 for 2479 observed reflections with Ⅰ ＞ 2σ(Ⅰ). The two methyl groups attached to the cyclobutane ring are cis oriented. An intramolecular hydrogen bond (N(6)-H(6)…O(8)) (A)ntroduces rigidity into the title molecule and the crystal structure is stabilized by intermolecular N-H…O hydrogen bonds. |
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| Keywords: | crystal structure hydrogen bonds thymine dimer DNA photolyase Cyclobutane Crystal Structure Synthesis Amide Ester Methyl Dimer hydrogen bonds rigidity molecule intramolecular hydrogen bond methyl groups attached cyclobutane ring oriented final space crystal structure |
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