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4-Morpholine-carboxamidine.
1Fakultät Chemie/Organische Chemie, Hochschule Aalen, Beethovenstrasse 1, D-73430 Aalen, Germany.
Acta Crystallographica. Section E, Structure Reports Online
|January 4, 2013
Summary
The crystal structure of C(5)H(11)N(3)O reveals specific bond lengths and angles within its CN(3) unit. Molecules form a three-dimensional network through hydrogen bonding in the crystal lattice.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding molecular structure and intermolecular interactions is crucial in chemistry.
- Crystal structure analysis provides detailed insights into atomic arrangements and bonding.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(5)H(11)N(3)O.
- To analyze the bonding characteristics and geometric parameters of the CN(3) unit.
- To investigate the intermolecular interactions and crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond lengths, bond angles, and molecular conformation was performed.
- Hydrogen bonding networks were identified and characterized.
Main Results:
- The C=N and C-N bond lengths indicate partial double- and single-bond character within the CN(3) unit.
- N-C-N angles deviate from ideal trigonal-planar geometry, suggesting geometric distortion.
- The morpholine ring adopts a chair conformation.
- A three-dimensional network is formed via N-H⋯N and N-H⋯O hydrogen bonds between molecules.
Conclusions:
- The study provides a detailed structural characterization of C(5)H(11)N(3)O.
- The observed geometric parameters and hydrogen bonding patterns offer insights into the compound's solid-state behavior.
- The findings contribute to the understanding of molecular assembly in crystalline organic compounds.
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