| Synthesis, Crystal Structure and Electrochemical Properties of a Novel Phenothiazine Derivative |
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| 作者姓名： | JIN Fenga b FENG Xiao-Juna TIAN Leia WU Jie-Yinga ZHOU Hong-Pinga TIAN Yu-Penga c a |
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| 作者单位： | [1]DepartmentofChemistry,AnhuiUniversity,Hefei230039,China／／DepartmentofChemistry,FuyangNormalCollege,Fuyang236032,China [2]DepartmentofChemistry,AnhuiUniversity,Hefei230039,China [3]DepartmentofChemistry,AnhuiUniversity,Hefei230039,China／／StateKeyLaboratoryofCoordinationChemistry,NanjingUniversity,Nanjing210093,China |
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| 基金项目： | This work was supported by the National Natural Science Foundation of China (50272001, 50335050) and the Committee of Education of Anhui Province (2004KJ020, 2003KJ218) |
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| 摘 要： | A new compound 1,1‘-bis(3-pyridyl)-propylene(3,7-diformyl-N-ethylphenothiazinyl)ketone (C30H23N3O2S, Mr = 489.4) has been synthesized, and its crystal structure was determined by single-crystal X-ray diffraction method. The crystal is of orthorhombic, space group Ima2 with a = 27.491 (5), b = 11.942(2), c = 7.389(2) A, V = 2425.8(7) A^3, Z = 8, Dc =1.340 g/cm^3,μ = 0,167 mm ^1, F(000) = 1024, the final R = 0.0363 and wR = 0.0869 for 2054 unique reflections with Rint = 0.0254. The structural determination shows that the molecule assumes a butterfly configuration with nearly planar wings. In addition, the electrochemical study indicates that there is a high electronic delocalization in the molecule.
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| 关 键 词： | 吩噻嗪 合成工艺 晶体结构 电化学 异丙嗪 |
Synthesis, Crystal Structure and Electrochemical Properties of a Novel Phenothiazine Derivative |
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| JIN Fenga,b FENG Xiao-Juna TIAN Leia WU Jie-Yinga ZHOU Hong-Pinga TIAN Yu-Penga,c a.Synthesis, Crystal Structure and Electrochemical Properties of a Novel Phenothiazine Derivative[J].Chinese Journal of Structural Chemistry,2005,24(6):645-650. |
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| Authors: | JIN Feng FENG Xiao-jun TIAN Lei WU Jie-ying ZHOU Hong-ping TIAN Yu-Peng |
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| Abstract: | A new compound 1,1＇-bis(3-pyridyl)-propylene(3,7-diformyl-N-ethylpheno- thiazinyl)ketone (C30H23N3O2S, Mr = 489.4) has been synthesized, and its crystal structure was determined by single-crystal X-ray diffraction method. The crystal is of orthorhombic, space group Ima2 with a = 27.491(5), b = 11.942(2), c = 7.389(2) (A), V = 2425.8(7) (A)3, Z = 8, Dc = 1.340 g/cm3, μ = 0.167 mm-1, F(000) = 1024, the final R = 0.0363 and wR = 0.0869 for 2054 unique reflections with Rint = 0.0254. The structural determination shows that the molecule assumes a butterfly configuration with nearly planar wings. In addition, the electrochemical study indicates that there is a high electronic delocalization in the molecule. |
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| Keywords: | phenothiazine derivative crystal structure electrochemical properties |
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