Ethyl 4-cyano-5-iodo-3-methyl­thio­phene-2-carboxyl­ate

doi:10.1107/S1600536807041451

Paper

Ethyl 4-cyano-5-iodo-3-methylthiophene-2-carboxylate

Published Sep 1, 2007 · J. Moncol’, Zita Puterová, D. Végh

Acta Crystallographica Section E-structure Reports Online

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Abstract

The title compound, C9H8INO2S, was synthesized by starting from ethyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate via Sandmeyer-type deamination, replacing the NH2 group by iodine. In the crystal structure, molecules form a two-membered cyclamer held together by CN⋯I intermolecular Lewis acid–base interactions. The N⋯I distance, and C—I⋯N and N⋯I—C angles are 3.142 (3) A, 166.9 (1)° and 123.1 (1)°, respectively.

Study Snapshot

Ethyl 4-cyano-5-iodo-3-methylthiophene-2-carboxylate (C9H8INO2S) is a two-membered cyclamer with CNI intermolecular Lewis acid–base interactions, offering potential as

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Paper

Ethyl 4-cyano-5-iodo-3-methylthiophene-2-carboxylate

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References

CIF applications. XV. enCIFer: a program for viewing, editing and visualizing CIFs

enCIFer is a program for viewing, editing, and visualizing crystallographic information files (CIFs), enabling the correction of syntax and format violations, and the addition of standard information for small-molecule structural studies.

SIR97: a new tool for crystal structure determination and refinement

SIR97 is a new tool for crystal structure determination and refinement, offering increased automation, efficiency, and a powerful graphics interface.

ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)

ORTEP-3 for Windows is a version of ORTEP-III with a Graphical User Interface (GUI) for crystallographic computing.

The Analytical Calculation of Absorption in Multifaceted Crystals

The developed method efficiently computes absorption in multifaceted crystals, allowing for greater accuracy in standard tests and adapting to more general situations.

The crystal structures of p-iodo-N-(p-cyanobenzylidene)aniline and p-cyano-N-(p-iodobenzylidene)aniline

The crystal structures of p-iodo-N-(p-cyanobenzylidene)aniline and p-cyano-N-(p-iodobenzylidene)aniline reveal similar chains of molecules, but different stacking patterns in the two compounds.

Citations

Ethyl 2-amino-4-methylthiophene-3-carboxylate

This compound crystallizes with two molecules, A and B, and features intramolecular and intermolecular hydrogen bonds, forming A + B dimers and linking them into a [010] chain.

Ethyl 4-cyano-5-iodo-3-methyl­thio­phene-2-carboxyl­ate

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References

CIF applications. XV. enCIFer: a program for viewing, editing and visualizing CIFs

enCIFer is a program for viewing, editing, and visualizing crystallographic information files (CIFs), enabling the correction of syntax and format violations, and the addition of standard information for small-molecule structural studies.

SIR97: a new tool for crystal structure determination and refinement

SIR97 is a new tool for crystal structure determination and refinement, offering increased automation, efficiency, and a powerful graphics interface.

ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)

ORTEP-3 for Windows is a version of ORTEP-III with a Graphical User Interface (GUI) for crystallographic computing.

The Analytical Calculation of Absorption in Multifaceted Crystals

The developed method efficiently computes absorption in multifaceted crystals, allowing for greater accuracy in standard tests and adapting to more general situations.

The crystal structures of p-iodo-N-(p-cyanobenzylidene)aniline and p-cyano-N-(p-iodobenzylidene)aniline

The crystal structures of p-iodo-N-(p-cyanobenzylidene)aniline and p-cyano-N-(p-iodobenzylidene)aniline reveal similar chains of molecules, but different stacking patterns in the two compounds.

Citations

Ethyl 2-amino-4-methylthiophene-3-carboxylate

This compound crystallizes with two molecules, A and B, and features intramolecular and intermolecular hydrogen bonds, forming A + B dimers and linking them into a [010] chain.

Ethyl 4-cyano-5-iodo-3-methylthiophene-2-carboxylate