| Crystal Structure and Spectroscopic Studies of Diphenylcarbazide Acetonitrile Solvate,(PhNHNH)_2C=O·CH_3CN |
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| 引用本文： | 建方方,肖海连,王瑛.Crystal Structure and Spectroscopic Studies of Diphenylcarbazide Acetonitrile Solvate,(PhNHNH)_2C=O·CH_3CN[J].结构化学,2003,22(1). |
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| 作者姓名： | 建方方 肖海连 王瑛 |
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| 作者单位： | JIAN Fang-Fang② XIAO Hai-Lian (New Materials & Function Coordination Chemistry Laboratory，Qingdao University of Science and Technology，Qingdao 266042，China) WANG Ying (Material Chemistry Laboratory，Nanjing University of Science & Technology，Nanjing 210094，China) |
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| 基金项目： | the Educational Administration Key Project of Shandong province (No. J01C05) and the Outstanding Adult-Young Scientific Research Encouraging Foundation of Shandong province (No. O1BS18) |
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| 摘 要： | 1INTRODUCTIONDiphenylcarbazideisanartificialelectrondonormaterialusedfrequentlyinanalyticalchemi-stryforcalorimetricdeterminationofchromiumandasensitivereagentformetalions(mercuryandcadmium)1].Ithasvariousapplications,especiallyinthefieldsofbiophysicsandmicrobiology.Withthehelpofexogenouselectrondonors,diphenylcar-bazidephotointheactivatedsitesontheelectrontransferchainweredelineated2].Diphenylcarbazideisalsoanartificialdonorduringchargeseparationinthephotochemicalreactions3]andphotosy…
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Crystal Structure and Spectroscopic Studies of Diphenylcarbazide Acetonitrile Solvate,(PhNHNH)2C=O·CH3CN |
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| Abstract: | The title compound (PhNHNH)2C=O(CH3CN has been prepared and characterized by elemental analysis and IR spectrum studies. The single-crystal X-ray structure determination of the title compound was carried out. It crystallizes in the monoclinic system, space group P21/n with a = 5.7818(2), b = 15.320(1), c = 17.469(1) A。, v = 97.476(1)o, V = 1534.2(1) A。3, Mr = 283.34 (C15H17N5O), Z = 4, Dc = 1.227 g/cm3 , F(000) = 600, μ = 0.082 mm-1, R = 0.0561 and wR = 0.1538. The total reflections were 8214 and the independent ones were 2624 (Rint = 0.0559), of which 1756 were observed with I > 2(I). The torsion angles of the important groups (C(6)-N(1)- N(2)-C(7) and C(7)-N(3)-N(4)-C(8)) are 68.3(3) and 93.3(3)o, respectively. In the crystal lattice, the molecules form a network structure through hydrogen bonds. The crystal structure is stabilized by N-H…N and N-H…O hydrogen bonds. FT-IR spectra clearly show there exist acetonitrile molecules in the crystal lattice. |
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| Keywords: | crystal structure diphenylcarbazide acetonitrile hydrogen bond network |
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