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Methyl 4-(tri-fluoro-meth-yl)-1H-pyrrole-3-carboxyl-ate.

ABSTRACT: In the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the mol-ecules are linked into inversion dimers by pairs of C-H?F inter-actions, forming R 2 (2)(10) loops. These dimers are connected into C(6) chains along [001] through N-H?O hydrogen bonds. Aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.8416?(10) A°] connect the mol-ecules into a three-dimensional network.

SUBMITTER: Suchetan PA 

PROVIDER: S-EPMC3790426 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Methyl 4-(tri-fluoro-meth-yl)-1H-pyrrole-3-carboxyl-ate.

Suchetan P A PA   Sreenivasa S S   Palakshamurthy B S BS   Manojkumar K E KE   Madan Kumar S S   Lokanath N K NK  

Acta crystallographica. Section E, Structure reports online 20130918 Pt 10

In the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the mol-ecules are linked into inversion dimers by pairs of C-H⋯F inter-actions, forming R 2 (2)(10) loops. These dimers are connected into C(6) chains along [001] through N-H⋯O hydrogen bonds. Aromatic π-π stacking inter-actions [centroid-centroid separation = 3.8416 (10) A°] connect the mol-ecules into a three-dimensional network. ...[more]

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