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Article

Molecular and Crystal Structure of a Chitosan−Zinc Chloride Complex

1
Faculty of Engineering, University of Miyazaki, Nishi 1-1 Gakuen-kibanadai, Miyazaki 889-2192, Japan
2
Organization for Promotion of Tenure Track, University of Miyazaki, Nishi 1-1 Gakuen-kibanadai, Miyazaki 889-2192, Japan
3
Research Institute for Advanced Science and Technology, Osaka Prefecture University, 1-2 Gakuencho, Sakai, Osaka 599-8570, Japan
*
Author to whom correspondence should be addressed.
Academic Editors: Josefina Pons and Jorge Pasán
Nanomaterials 2021, 11(6), 1407; https://doi.org/10.3390/nano11061407
Received: 10 May 2021 / Revised: 19 May 2021 / Accepted: 24 May 2021 / Published: 26 May 2021
(This article belongs to the Special Issue Emerging Functions of Nano-Organized Polysaccharides)
We determined the molecular and packing structure of a chitosan–ZnCl2 complex by X-ray diffraction and linked-atom least-squares. Eight D-glucosamine residues—composed of four chitosan chains with two-fold helical symmetry, and four ZnCl2 molecules—were packed in a rectangular unit cell with dimensions a = 1.1677 nm, b = 1.7991 nm, and c = 1.0307 nm (where c is the fiber axis). We performed exhaustive structure searches by examining all of the possible chain packing modes. We also comprehensively searched the positions and spatial orientations of the ZnCl2 molecules. Chitosan chains of antiparallel polarity formed zigzag-shaped chain sheets, where N2···O6, N2···N2, and O6···O6 intermolecular hydrogen bonds connected the neighboring chains. We further refined the packing positions of the ZnCl2 molecules by theoretical calculations of the crystal models, which suggested a possible coordination scheme of Zn(II) with an O6 atom. View Full-Text
Keywords: chitosan−ZnCl2 complex; crystal structure; X-ray fiber diffraction chitosan−ZnCl2 complex; crystal structure; X-ray fiber diffraction
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MDPI and ACS Style

Yui, T.; Uto, T.; Ogawa, K. Molecular and Crystal Structure of a Chitosan−Zinc Chloride Complex. Nanomaterials 2021, 11, 1407. https://doi.org/10.3390/nano11061407

AMA Style

Yui T, Uto T, Ogawa K. Molecular and Crystal Structure of a Chitosan−Zinc Chloride Complex. Nanomaterials. 2021; 11(6):1407. https://doi.org/10.3390/nano11061407

Chicago/Turabian Style

Yui, Toshifumi, Takuya Uto, and Kozo Ogawa. 2021. "Molecular and Crystal Structure of a Chitosan−Zinc Chloride Complex" Nanomaterials 11, no. 6: 1407. https://doi.org/10.3390/nano11061407

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