Crystal structure of ethyl (E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl) acrylate, C15H14Cl2FNO3

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(E)-Ethyl 2-cyano-3-(3,4-dihydr­oxy-5-nitro­phen­yl)acrylate

The title compound, C(12)H(10)N(2)O(6), was synthesized via a Knoevenagel condensation and crystallized from ethanol. In the crystal, strong classical inter-molecular O-H⋯O hydrogen bonds and weak C-H⋯N contacts link the mol-ecules into ribbons extending along [010]. Intra-molecular O-H⋯O and C-H⋯N contacts support the planar conformation of the mol-ecules (mean deivation 0.0270 Å).

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All the non-H atoms of the title compound, C(10)H(10)N(2)O(2), are nearly in the same plane with a maximum deviation of 0.093 (1) Å. In the crystal, adjacent mol-ecules are linked by pairs of inter-molecular N-H⋯O hydrogen bonds, generating inversion dimers with R(2) (2)(14) ring motifs.

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The title compound, C(18)H(18)FNO(3), consists of three individually planar subunits, namely two substituted benzene rings and one amino-acrylate group. The dihedral angle between the two benzene rings is 47.48 (8)°. The amino-acrylate group forms dihedral angles of 57.95 (7) and 11.27 (6)° with the methoxy-phenyl and fluorophenyl rings, respectively.

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Crystal structure of ethyl (E)-2-cyano-3-(thio­phen-2-yl)acrylate: two conformers forming a discrete disorder

In the title compound, C10H9NO2S, all the non-H atoms, except for the ethyl fragment, lie nearly in the same plane. Despite the mol-ecular planarity, the ethyl fragment presents more than one conformation, giving rise to a discrete disorder, which was modelled with two different crystallographic sites for the eth-oxy O and eth-oxy α-C atoms, with occupancy values of 0.5. In the crystal, the thr...

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ژورنال

عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures

سال: 2017

ISSN: 2197-4578,1433-7266

DOI: 10.1515/ncrs-2016-0320