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Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide
The title compound, C(3)H(4)Cl(3)NO(2), crystallized with two independent molecules (A and B) in the asymmetric unit. The two molecules have the same conformation; the molecular overlap gives weighted and unit-weight r.m.s. fits of 0.047 and 0.043 Å, respectively. The conformation of the N-(hydro...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719823/ https://www.ncbi.nlm.nih.gov/pubmed/26870414 http://dx.doi.org/10.1107/S2056989015020459 |
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author | Mariyatra, Mahimaidoss Baby Stoeckli-Evans, Helen |
author_facet | Mariyatra, Mahimaidoss Baby Stoeckli-Evans, Helen |
author_sort | Mariyatra, Mahimaidoss Baby |
collection | PubMed |
description | The title compound, C(3)H(4)Cl(3)NO(2), crystallized with two independent molecules (A and B) in the asymmetric unit. The two molecules have the same conformation; the molecular overlap gives weighted and unit-weight r.m.s. fits of 0.047 and 0.043 Å, respectively. The conformation of the N-(hydroxethyl)formamide chains are very similar, as indicated by the C—N(H)—C=O and C—N(H)—C—O(H) torsion angles, which are, respectively, −1.8 (3) and −91.5 (2)° for molecule A, and −2.1 (3) and −95.7 (2)° for molecule B. In the crystal, individual molecules are linked by pairs of O—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers with R (2) (2)(12) ring motifs. The dimers are linked via N—H⋯O hydrogen bonds, forming alternating layers of A and B molecules parallel to the bc plane. Within the layers of B molecules, there are weak C—H⋯Cl hydrogen bonds present. |
format | Online Article Text |
id | pubmed-4719823 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198232016-02-11 Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide Mariyatra, Mahimaidoss Baby Stoeckli-Evans, Helen Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(3)H(4)Cl(3)NO(2), crystallized with two independent molecules (A and B) in the asymmetric unit. The two molecules have the same conformation; the molecular overlap gives weighted and unit-weight r.m.s. fits of 0.047 and 0.043 Å, respectively. The conformation of the N-(hydroxethyl)formamide chains are very similar, as indicated by the C—N(H)—C=O and C—N(H)—C—O(H) torsion angles, which are, respectively, −1.8 (3) and −91.5 (2)° for molecule A, and −2.1 (3) and −95.7 (2)° for molecule B. In the crystal, individual molecules are linked by pairs of O—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers with R (2) (2)(12) ring motifs. The dimers are linked via N—H⋯O hydrogen bonds, forming alternating layers of A and B molecules parallel to the bc plane. Within the layers of B molecules, there are weak C—H⋯Cl hydrogen bonds present. International Union of Crystallography 2015-11-14 /pmc/articles/PMC4719823/ /pubmed/26870414 http://dx.doi.org/10.1107/S2056989015020459 Text en © Mariyatra and Stoeckli-Evans 2015 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 | Research Communications Mariyatra, Mahimaidoss Baby Stoeckli-Evans, Helen Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
title | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
title_full | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
title_fullStr | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
title_full_unstemmed | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
title_short | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
title_sort | crystal structure of n-(2,2,2-trichloro-1-hydroxyethyl)formamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719823/ https://www.ncbi.nlm.nih.gov/pubmed/26870414 http://dx.doi.org/10.1107/S2056989015020459 |
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