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Synthesis and Crystal Structure of 5-Chloro-3-Methyl-1-Phenyl-1H-Pyrazole-4-Carbaldehyde

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Abstract

The title compound, 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 2, was prepared in a series of syntheses to produce new pyrazole derivatives, and its crystal structure was determined by X-ray diffraction method. The crystal belongs to monoclinic, space group P21/c with unit cell parameters a = 6.7637(4) Å, b = 6.8712(3) Å, c = 22.4188(10) Å, β = 93.8458(14)º, V = 1039.56(9) Å3 and Z = 4. X-Ray reveals that the aldehydic fragment is almost coplanar with the adjacent pyrazole ring, but the two ring planes are inclined at 72.8(1)º. The molecule is linked to its neighbor by two directionally specific C–H···O interactions.

Index Abstract

A highly versatile intermediate, 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, was synthesized and its structure determined.

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Acknowledgments

The authors thank the Opening Foundation of Zhejing Provincial Top Key Discipline (No. 20110938), the Special Funds for Key Innovation Team of Zhejing Province (No. 2010R50017).

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Authors and Affiliations

  1. College of Material, Chemistry and Chemical Engineering, Hangzhou Normal University, Hangzhou, 310036, People’s Republic of China

    Cun-Jin Xu

  2. College of Chemical Engineering and Material Science, Zhejiang University of Technology, Hangzhou, 310014, People’s Republic of China

    Yan-Qin Shi

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  1. Cun-Jin Xu
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  2. Yan-Qin Shi
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Correspondence to Cun-Jin Xu.

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Xu, CJ., Shi, YQ. Synthesis and Crystal Structure of 5-Chloro-3-Methyl-1-Phenyl-1H-Pyrazole-4-Carbaldehyde. J Chem Crystallogr 41, 1816–1819 (2011). https://doi.org/10.1007/s10870-011-0178-4

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  • DOI: https://doi.org/10.1007/s10870-011-0178-4

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