Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Mariyatra, Mahimaidoss Baby, Stoeckli-Evans, Helen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
_version_ 1782410981256724480
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
work_keys_str_mv AT mariyatramahimaidossbaby crystalstructureofn222trichloro1hydroxyethylformamide
AT stoecklievanshelen crystalstructureofn222trichloro1hydroxyethylformamide