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2 Methyl 4 (4 nitro­phen­yl)but 3 yn 2 ol: crystal structure, Hirshfeld surface analysis and computational chemistry study

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Figure

Fig. 5(amapped Hirshfeld surface in Fig. 5(), the donors and acceptors of O—H� � �O hydrogenbond involving the atoms of the hydroxyl group are char-acterized as bright-red spots
Figure 3Details of benzene-C—H� � �O(nitro) interactions (shown as blue dashedlines) in the crystal of (I): (a) a view of the supramolecular chain along thec-axis direction and (b) an end-on view of the chain.
Fig. 8(aC), and those delineated into H� � �H, O� � �H/H� � �O,� � �H/H� � �C and C� � �C contacts (McKinnon et al., 2007) are
Figure 8(a) The full two-dimensional fingerprint plot for (I) and (b)–(e) those delineated into H� � �H, O� � �H/H� � �O, C� � �H/H� � �C and C� � �C contacts,respectively.
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