Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide

The title compound, C3H4Cl3NO2, 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)form...

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Bibliographic Details
Main Authors: Mahimaidoss Baby Mariyatra, Helen Stoeckli-Evans
Format: Article
Language:English
Published: International Union of Crystallography 2015-12-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015020459
Description
Summary:The title compound, C3H4Cl3NO2, 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 R22(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.
ISSN:2056-9890