6-Ethyl-N-methyl-3-nitro-4-nitro­methyl-4H-chromen-2-amine

In the title compound, C(13)H(15)N(3)O(5), the O and N atoms of the nitro­methyl group and the methyl C atom of the ethyl group are disordered over two sets of sites with refined occupancies of 0.629 (7):0.371 (7) and 0.533 (8):0.467 (8), respectively. The dihydro­pyran ring has an extremely flatten...

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Autores principales: Muthukumaran, J., Parthiban, A., Surya Prakash Rao, H., Krishna, R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254519/
https://www.ncbi.nlm.nih.gov/pubmed/22259465
http://dx.doi.org/10.1107/S1600536811053554
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author Muthukumaran, J.
Parthiban, A.
Surya Prakash Rao, H.
Krishna, R.
author_facet Muthukumaran, J.
Parthiban, A.
Surya Prakash Rao, H.
Krishna, R.
author_sort Muthukumaran, J.
collection PubMed
description In the title compound, C(13)H(15)N(3)O(5), the O and N atoms of the nitro­methyl group and the methyl C atom of the ethyl group are disordered over two sets of sites with refined occupancies of 0.629 (7):0.371 (7) and 0.533 (8):0.467 (8), respectively. The dihydro­pyran ring has an extremely flattened conformation. An intra­molecular N—H⋯O hydrogen bond occurs. In the crystal, pairs of N—H⋯O hydrogen bonds link mol­ecules, forming inversion dimers. In addition, weak inter­molecular C—H⋯O hydrogen bonds are also present.
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spelling pubmed-32545192012-01-18 6-Ethyl-N-methyl-3-nitro-4-nitro­methyl-4H-chromen-2-amine Muthukumaran, J. Parthiban, A. Surya Prakash Rao, H. Krishna, R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(15)N(3)O(5), the O and N atoms of the nitro­methyl group and the methyl C atom of the ethyl group are disordered over two sets of sites with refined occupancies of 0.629 (7):0.371 (7) and 0.533 (8):0.467 (8), respectively. The dihydro­pyran ring has an extremely flattened conformation. An intra­molecular N—H⋯O hydrogen bond occurs. In the crystal, pairs of N—H⋯O hydrogen bonds link mol­ecules, forming inversion dimers. In addition, weak inter­molecular C—H⋯O hydrogen bonds are also present. International Union of Crystallography 2011-12-21 /pmc/articles/PMC3254519/ /pubmed/22259465 http://dx.doi.org/10.1107/S1600536811053554 Text en © Muthukumaran et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Muthukumaran, J.
Parthiban, A.
Surya Prakash Rao, H.
Krishna, R.
6-Ethyl-N-methyl-3-nitro-4-nitro­methyl-4H-chromen-2-amine
title 6-Ethyl-N-methyl-3-nitro-4-nitro­methyl-4H-chromen-2-amine
title_full 6-Ethyl-N-methyl-3-nitro-4-nitro­methyl-4H-chromen-2-amine
title_fullStr 6-Ethyl-N-methyl-3-nitro-4-nitro­methyl-4H-chromen-2-amine
title_full_unstemmed 6-Ethyl-N-methyl-3-nitro-4-nitro­methyl-4H-chromen-2-amine
title_short 6-Ethyl-N-methyl-3-nitro-4-nitro­methyl-4H-chromen-2-amine
title_sort 6-ethyl-n-methyl-3-nitro-4-nitro­methyl-4h-chromen-2-amine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254519/
https://www.ncbi.nlm.nih.gov/pubmed/22259465
http://dx.doi.org/10.1107/S1600536811053554
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AT suryaprakashraoh 6ethylnmethyl3nitro4nitromethyl4hchromen2amine
AT krishnar 6ethylnmethyl3nitro4nitromethyl4hchromen2amine

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