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Published on: November 23, 2016
3-Amino-benzonitrile-3,5-dinitro-benzoic acid (1/1)
Xuehua Ding1, Shi Wang, Wenrui He
1Jiangsu Key Laboratory of Organic Electronics & Information Displays, Institute of Advanced Materials (IAM), Nanjing University of Posts and Telecommunications, Nanjing 210046, People's Republic of China.
This study details the crystal structure of a co-crystal composed of C(7)H(6)N(2) and C(7)H(4)N(2)O(6). The structure is stabilized by hydrogen bonds and pi-pi stacking interactions, forming a 2D wave-like network.
Area of Science:
- Crystallography
- Materials Science
- Supramolecular Chemistry
Background:
- Co-crystals are crystalline solids composed of two or more different molecular components.
- Understanding the intermolecular interactions within co-crystals is crucial for designing materials with specific properties.
Purpose of the Study:
- To elucidate the crystal structure of the co-crystal formed by C(7)H(6)N(2) and C(7)H(4)N(2)O(6).
- To identify and analyze the intermolecular forces responsible for crystal packing and network formation.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of hydrogen bonding (O-H⋯O, N-H⋯O, N-H⋯N, C-H⋯O) and π-π stacking interactions.
Main Results:
- The asymmetric unit contains two formula units of each component.
- A two-dimensional wave-like network is formed through various hydrogen bonds.
- π-π stacking interactions with centroid-centroid distances of approximately 3.6-3.7 Å contribute to crystal stabilization.
Conclusions:
- The crystal structure of the C(7)H(6)N(2)·C(7)H(4)N(2)O(6) co-crystal is characterized by a 2D wave-like network.
- Hydrogen bonding and π-π stacking are key interactions governing the supramolecular assembly and stability of this co-crystal.
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