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논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 저널정보
- 장전수학회 Proceedings of the Jangjeon Mathematical Society Proceedings of the Jangjeon Mathematical Society(장전수학회 논문집) 제24권 제4호
- 발행연도
- 2021.10
- 수록면
- 421 - 427 (7page)
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The crystal structures of anhydrous and solvated forms of 7-hydroxy-4 methyl coumarin have been analyzed on the basis of energies responsible for holding the moiety in a 3D pattern through weak intermolecular interactions. The lattice energy as well as intermolecular interaction energies of the stabilizing molecular pairs extracted from crystal packing for both structures have been evaluated using PIXEL method. The energies are further split into coulombic, dispersion, repulsion and polarization components, which facilitates in analyzing the stabilizing roles of weak interactions. Lattice energy calculations show that anhydrous form is more stable than hydrous form. Moreover, Hirshfeld surfaces and fingerprint plots were generated using Crystal Explorer 3.0. Critical analysis of Hirshfeld surfaces and fingerprint plots provides essential inputs about the differences in crystal packing of structures and associated intermolecular interactions.
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참고문헌 (9)
참고문헌 신청
S. R. Trenor / 2004 / Chem. Rev 104:3059
M. Kale / 2014 / Journal of Current Pharma Research 4:1150
B. Nikhil / 2012 / International Research Journal of Pharmacy 3:24
R. D. H Murray / 1982 / The Natural Coumarins: Occurrence, chemistry and Biochemistry / John Wiley and Sons
S. D. Sharma / 2005 / Biometals 18:143
M. Kale / 2014 / Journal of Current Pharma Research 4:1150
B. Nikhil / 2012 / International Research Journal of Pharmacy 3:24
R. D. H Murray / 1982 / The Natural Coumarins: Occurrence, chemistry and Biochemistry / John Wiley and Sons
S. D. Sharma / 2005 / Biometals 18:143
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