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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Crystal structure of N-(2,2,2-tri-chloro-1-hy-droxy-eth-yl)formamide
Mahimaidoss Baby Mariyatra1, Helen Stoeckli-Evans2
1Department of Chemistry, St. Xavier's College, Palayamkottai 627 002, India.
Abstract:
The title compound, C3H4Cl3NO2, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The two mol-ecules have the same conformation; the mol-ecular overlap gives weighted and unit-weight r.m.s. fits of 0.047 and 0.043 Å, respectively. The conformation of the N-(hydroxeth-yl)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 mol-ecule A, and -2.1 (3) and -95.7 (2)° for mol-ecule B. In the crystal, individual mol-ecules 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 mol-ecules parallel to the bc plane. Within the layers of B mol-ecules, there are weak C-H⋯Cl hydrogen bonds present.
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