STRUCTURE OF 2-AMINO-4-(3-BROMOPHENYL)-7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMENE-3-CARBONITRILE

Balbir Kumar Kumar, Goutam Brahmachari, Bubun Banerjee, Khondekar Nurjamal, Rajni Kant, Vivek K. Gupta

Abstract


The title compound, 2-amino-4-(3-bromophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (C18H17BrN2O2), was synthesized, in 86% yield, by one-pot multicomponent reaction of 3-bromobenzaldehyde, malononitrile and dimedone using 10 mol % urea as an organo-catalyst at room temperature. It crystallizes in the monoclinic space group C 2/c with the unit-cell parameters: a= 23.557(2), b= 9.2963(7), c= 15.7502(12) Å, β = 93.430(8)o and  Z = 8. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0585 for 1411 observed reflections. The packing between the molecules within the unit cell is stabilized by N-H..O and N-H…N type of intermolecular hydrogen interactions.

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DOI: http://dx.doi.org/10.17628/ecb.2016.5.14-17

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