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Structure of isopropyl-N-phenyl carbamate—a plant hormone

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Abstract

The structure of isopropyl-N-phenylcarbamate was solved by direct methods and refined to anR of 0·123 for 455 observed reflections. The molecule is stabilised by N-H ... O hydrogen bonds (2·873A). The angle between the phenyl ring and the carbamate group is 31(4)°. Charge density calculations were carried out on this molecule using the Huckellcaomo method for π charges and the DelRe method for ϕ charges. The charge separation between the ring atom with a net positive charge and the tail methyl group carbons are 5·53 and 5·83 A.

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Authors and Affiliations

  1. Department of Crystallography and Biophysics, University of Madras, Guindy Campus, 600 025, Madras, India

    M Nethaji & Vasantha Pattabhi

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  1. M Nethaji
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  2. Vasantha Pattabhi
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Nethaji, M., Pattabhi, V. Structure of isopropyl-N-phenyl carbamate—a plant hormone. Proc. Indian Acad. Sci. (Chem. Sci.) 95, 369–374 (1985). https://doi.org/10.1007/BF02867350

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  • DOI: https://doi.org/10.1007/BF02867350

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