Crystal structure of 2-oxo-2H-chromen-3-yl 4-chlorobenzoate and Hirshfeld surface analysis
2017 ◽
Vol 73
(1)
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pp. 45-47
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Keyword(s):
In the title compound, C16H9ClO4the dihedral angle between the coumarin ring system [maximum deviation = 0.023 (1) Å] and the benzene ring is 73.95 (8)°. In the crystal, π–π interactions link the dimers into a three-dimensional framework. A quantum chemical calculation is in generally good agreement with the observed structure, although the calculated dihedral angle between the ring systems (85.7%) is somewhat larger than the observed value [73.95 (8)°]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions.
2018 ◽
Vol 74
(5)
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pp. 747-751
2020 ◽
Vol 76
(4)
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pp. 576-580
Keyword(s):
2020 ◽
Vol 76
(2)
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pp. 239-244
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2019 ◽
Vol 75
(11)
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pp. 1638-1642
2018 ◽
Vol 74
(12)
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pp. 1887-1890
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2020 ◽
Vol 76
(8)
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pp. 1195-1200
2020 ◽
Vol 76
(5)
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pp. 728-731
2021 ◽
Vol 77
(2)
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pp. 195-199
2021 ◽
Vol 77
(3)
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pp. 260-265
2018 ◽
Vol 74
(10)
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pp. 1513-1516
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