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Ethyl (2E)-2-cyano-3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate.

ABSTRACT: The 15 non-H atoms of the title compound, C(11)H(12)N(2)O(2), are approximately coplanar, the r.m.s. deviation being 0.145?Å. The major deviation from coplanarity is seen in a twist between the ethene (E configuration) and pyrrole rings [C-C-N-C torsion angle = -8.26?(18)°]. The carbonyl O and cyano N atoms are syn to each other. In the crystal, supra-molecular linear tapes linked by C-H?O and C-H?N inter-actions are further connected by C-H??(pyrrole) inter-actions.

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3200670 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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Ethyl (2E)-2-cyano-3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate.

Asiri Abdullah M AM   Al-Youbi Abdulrahman O AO   Alamry Khalid A KA   Faidallah Hassan M HM   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20110811 Pt 9

The 15 non-H atoms of the title compound, C(11)H(12)N(2)O(2), are approximately coplanar, the r.m.s. deviation being 0.145 Å. The major deviation from coplanarity is seen in a twist between the ethene (E configuration) and pyrrole rings [C-C-N-C torsion angle = -8.26 (18)°]. The carbonyl O and cyano N atoms are syn to each other. In the crystal, supra-molecular linear tapes linked by C-H⋯O and C-H⋯N inter-actions are further connected by C-H⋯π(pyrrole) inter-actions. ...[more]

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