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X-ray crystallography of methyl (6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran)-3-carboxylate

  • Structure of Organic Compounds
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Abstract

The organic carbonitrile namely methyl (6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran)- 3-carboxylate is synthesized via one-pot multi-component reaction at room temperature using commercially available urea as inexpensive and environmentally benign organo-catalyst and its crystal structure is determined by X-ray technique. The crystals are monoclinic, sp. gr. C2/c, a = 12.3069(8) Å, b = 9.7023(7) Å, c = 24.812(2) Å, β = 94.862(6)°, Z = 8. The dihedral angle between pyran and phenyl rings is 87.8(1)°; the pyran ring is almost planar The dihedral angle between the mean planes of phenyl ring and nitro group is 44.4(2)°. The crystal structure is stabilized by N−H···N and N−H···O hydrogen bonds. In addition, C−H···π interactions are also observed in the crystal structure.

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Authors and Affiliations

  1. X-ray Crystallography Laboratory, Post-Graduate Department of Physics and Electronics, University of Jammu, Jammu Tawi, 180 006, India

    Suresh Sharma, Rajni Kant & Vivek K. Gupta

  2. Laboratory of Natural Products and Organic Synthesis, Department of Chemistry, Visva-Bharati (a Central University), Santiniketan, 731 235, West Bengal, India

    Bubun Banerjee & Goutam Brahmachari

Authors
  1. Suresh Sharma
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  2. Bubun Banerjee
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  3. Goutam Brahmachari
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  4. Rajni Kant
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  5. Vivek K. Gupta
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Correspondence to Vivek K. Gupta.

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Sharma, S., Banerjee, B., Brahmachari, G. et al. X-ray crystallography of methyl (6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran)-3-carboxylate. Crystallogr. Rep. 61, 1051–1054 (2016). https://doi.org/10.1134/S1063774516070105

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  • DOI: https://doi.org/10.1134/S1063774516070105

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