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Ethyl 5-cyano-4-[2-(2,4-dichloro-phen-oxy)acetamido]-1-phenyl-1H-pyrrole-3-carboxyl-ate.


ABSTRACT: In the title compound, C(22)H(17)Cl(2)N(3)O(4), the pyrrole ring and the 2,4-dichloro-phenyl group form a dihedral angle of 8.14?(13)°; the phenyl ring is twisted with respect to the pyrrole ring, forming a dihedral angle of 60.77?(14)°. The C=O bond length is 1.213?(3)?Å, indicating that the mol-ecule is in the keto form, associated with a -CONH- group, and the amide group adopts the usual trans conformation. The mol-ecule is stabilized by an intra-molecular N-H?O hydrogen-bonding inter-action. In the crystal, the stacked mol-ecules exhibit inter-molecular C-H?O and C-H?N hydrogen-bonding inter-actions.

SUBMITTER: Xu J 

PROVIDER: S-EPMC2977304 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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Ethyl 5-cyano-4-[2-(2,4-dichloro-phen-oxy)acetamido]-1-phenyl-1H-pyrrole-3-carboxyl-ate.

Xu Jing J   Sheng Hui H   He Mei M   He Ping P  

Acta crystallographica. Section E, Structure reports online 20090722 Pt 8


In the title compound, C(22)H(17)Cl(2)N(3)O(4), the pyrrole ring and the 2,4-dichloro-phenyl group form a dihedral angle of 8.14 (13)°; the phenyl ring is twisted with respect to the pyrrole ring, forming a dihedral angle of 60.77 (14)°. The C=O bond length is 1.213 (3) Å, indicating that the mol-ecule is in the keto form, associated with a -CONH- group, and the amide group adopts the usual trans conformation. The mol-ecule is stabilized by an intra-molecular N-H⋯O hydrogen-bonding inter-action.  ...[more]

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