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37249 |
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|a dc
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|a C. S., Chidan Kumar
|e author
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|a Ai, Jia Sim
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|a Weng, Zhun Ng
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|a Tze, Shyang Chia
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|a Loh, Wan Sin
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|a Huey, Chong Kwong
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|a Ching, Kheng Quah
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|a S., Naveen
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|a N. K., Lokanath
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|a Warad, Ismail
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|a The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate
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|b International Union of Crystallography,
|c 2017.
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|z Get fulltext
|u http://eprints.usm.my/37249/1/%28The_crystal_structure%29_sj5531.pdf
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|a The asymmetric unit of the title compound, C15H15N3O3�0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (A and B) and a water molecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11)� in A and B, respectively. In the crystal, molecules are linked by N-H� � �O, O- H� � �O, C-H� � �O and C-H� � ��(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features �-� interactions involving the centroids of the pyridine and phenyl rings [centroid-centroid distances = 3.5618 (12) A ° in A and 3.8182 (14) A ° in B].
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|a en
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|a QC1-999 Physics
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|a QD1-999 Chemistry
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