Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries
2015 ◽
Vol 71
(1)
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pp. 69-74
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Keyword(s):
Three 1-phenylindolin-2-one derivatives, namely 1-phenylindolin-2-one, C14H11NO, (I), 5-bromo-1-phenylindolin-2-one, C14H10BrNO, (II), and 5-iodo-1-phenylindolin-2-one, C14H10INO, (III), have been synthesized and their structures determined. Compounds (I) and (II) crystallized in the centrosymmetric space groupsPbcaandP21/c, respectively, while compound (III) crystallized in the polar space groupAea2. Density functional theory (DFT) calculations show that the molecular dipole moment gradually decreases in the order (I) > (II) > (III). The relatively smaller dipole moment of (III) and the larger non-electrostatic intermolecular interactions may be the main reasons for the noncentrosymmetric and polar structure of (III).
2010 ◽
Vol 66
(4)
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pp. 451-457
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2021 ◽
1994 ◽
Vol 230
(1-2)
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pp. 182-188
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Keyword(s):
Keyword(s):
2008 ◽
Vol 63
(1-2)
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pp. 42-48
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2019 ◽
Vol 21
(6)
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pp. 3227-3241
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