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Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
N'-Hy-droxy-pyridine-2-carboximidamide
P A Suchetan1, S Sreenivasa, B S Palakshamurthy
1Department of Studies and Research in Chemistry, U.C.S, Tumkur University, Tumkur, Karnataka 572 103, India.
Acta Crystallographica. Section E, Structure Reports Online
|September 19, 2013
Summary
This study characterizes a nearly planar molecule (C6H7N3O) with an E conformation. Molecular analysis reveals specific hydrogen bonding patterns forming dimers and chains in its crystal structure.
Area of Science:
- Crystallography
- Molecular structure analysis
Background:
- Understanding molecular geometry and intermolecular interactions is crucial in chemistry.
- Crystal packing influences material properties and reactivity.
Purpose of the Study:
- To determine the precise three-dimensional structure of the title molecule (C6H7N3O).
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- Analysis of bond lengths, angles, and deviations from planarity was performed.
- Identification and characterization of hydrogen bonding networks (N-H⋯N and O-H⋯N) were conducted.
Main Results:
- The molecule C6H7N3O exhibits near planarity with a root-mean-square deviation of 0.0068 Å.
- An E conformation was observed around the C=N double bond.
- Strong N-H⋯N hydrogen bonds form inversion dimers (R2(2)(10) motifs).
- These dimers are further organized into C(3) chains via O-H⋯N hydrogen bonds.
Conclusions:
- The crystal structure of C6H7N3O is characterized by specific hydrogen bonding, leading to the formation of dimers and chains.
- The observed planarity and conformation provide insights into the molecule's electronic and steric properties.
- The detailed structural analysis contributes to the understanding of supramolecular assembly in organic crystals.
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Acid-catalyzed hydrolysis:
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