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Butane-1,4-diyl bis(chloroacetate).
Lourdes Urpí1, Meritxell Martínez-Palau, Mercè Font-Bardia
1Departament d'Enginyeria Química, Universitat Politècnica de Catalunya, Avinguda Diagonal 647, E-08028 Barcelona, Spain.
Acta Crystallographica. Section C, Crystal Structure Communications
|December 8, 2004
Summary
This study details the molecular structure of a specific compound, C(8)H(12)Cl(2)O(4). Its crystal packing is influenced by weak intermolecular hydrogen bonds, affecting its overall stability.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Understanding molecular conformation and packing is crucial in materials science.
- Intermolecular forces significantly influence bulk properties of chemical compounds.
Purpose of the Study:
- To elucidate the crystal structure and molecular conformation of the title compound, C(8)H(12)Cl(2)O(4).
- To investigate the role of intermolecular interactions in the molecular packing of this compound.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed.
Main Results:
- The compound C(8)H(12)Cl(2)O(4) crystallizes with the molecule located about an inversion center.
- A tgt-gt conformation was observed for the butanedioxy group, and a trans conformation for the ClCH(2)-C(=O)O bond.
- A network of weak CH(2)...O=C intermolecular hydrogen bonds was identified, stabilizing the crystal lattice.
Conclusions:
- The molecular conformation and specific intermolecular interactions dictate the observed crystal packing.
- The identified hydrogen bonding network plays a key role in the stability of the compound's solid-state structure.