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Related Experiment Video

Updated: Jun 1, 2026

A Strategy for Sensitive, Large Scale Quantitative Metabolomics

A Strategy for Sensitive, Large Scale Quantitative Metabolomics

Published on: May 27, 2014

Methyl 1H-pyrrole-2-carboxyl-ate.

Tobias Kerscher¹, Peter Mayer, Peter Klüfers

¹Department Chemie und Biochemie, Ludwig-Maximilians-Universität, Butenandtstrasse 5-13, 81377 München, Germany.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This study reveals the crystal structure of a planar organic compound, C(6)H(7)NO(2). Intermolecular hydrogen bonds link molecules into helical chains, showcasing unique crystal packing.

Area of Science:

Crystallography
Organic Chemistry
Materials Science

Background:

Understanding the molecular arrangement and intermolecular interactions in organic solids is crucial for predicting their physical properties.
The compound C(6)H(7)NO(2) represents a class of molecules with potential applications in materials science.

Purpose of the Study:

To elucidate the crystal structure of C(6)H(7)NO(2).
To investigate the intermolecular interactions and packing motifs in the solid state.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
Analysis of bond lengths, bond angles, and intermolecular contacts was performed.

Main Results:

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The molecule C(6)H(7)NO(2) exhibits a nearly planar conformation.

A dihedral angle of 3.6(3)° was observed between the pyrrole ring and the methoxy-carbonyl group.

Intermolecular hydrogen bonds between the N-H group and a carboxylate oxygen atom were identified.

These interactions result in the formation of helical chains along the crystallographic b axis.

Conclusions:

The crystal structure of C(6)H(7)NO(2) is characterized by planar molecular geometry and helical chain formation.
Hydrogen bonding plays a significant role in directing the self-assembly of these organic molecules in the solid state.