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Updated: May 21, 2026

Sequence-specific Labeling of Nucleic Acids and Proteins with Methyltransferases and Cofactor Analogues
Published on: November 22, 2014
Methyl 3-amino-but-2-enoate
1Department of Applied Chemistry, Harbin Institute of Technology, Harbin, Heilongjiang 150001, People's Republic of China.
This study details the crystal structure of a C(5)H(9)NO(2) compound, revealing its near-planar geometry. Molecules form chains via intermolecular hydrogen bonds, showcasing crystal packing in organic compounds.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular interactions is crucial for predicting material properties.
- Crystal engineering relies on characterizing intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound C(5)H(9)NO(2).
- To analyze the hydrogen bonding network and its influence on crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of atomic coordinates and bond parameters to assess planarity and hydrogen bonding.
Main Results:
- The compound C(5)H(9)NO(2) exhibits a near-planar molecular conformation with an r.m.s. deviation of 0.036 Å for non-hydrogen atoms.
- An intramolecular N-H⋯O hydrogen bond forms a six-membered (S(6)) ring.
- Intermolecular N-H⋯O interactions link molecules into hydrogen-bonded chains (C(6)) propagating along the [010] direction.
Conclusions:
- The crystal structure is stabilized by a combination of intramolecular and intermolecular hydrogen bonds.
- The observed chain formation highlights the role of hydrogen bonding in directing crystal packing for this organic compound.
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