The molecules of 2-benzoyl-1-benzofuran, C15H10O2, (I), interact through double C-H...O hydrogen bonds, forming dimers that are further linked by C-H...O, C-H...pi and pi-pi interactions, resulting in a three-dimensional supramolecular network. The dihedral angle between the benzoyl and benzofuran fragments in (I) is 46.15 (3) degrees . The molecules of bis(5-bromo-1-benzofuran-2-yl) ketone, C17H8Br2O3, (II), exhibit C2 symmetry, with the carbonyl group (C=O) lying along the twofold rotation axis, and are linked by a combination of C-H...O and C-H...pi interactions and Br...Br contacts to form sheets. The stability of the molecular packing in 3-mesityl-3-methylcyclobutyl 3-methylnaphtho[1,2-b]furan-2-yl ketone, C28H28O2, (III), arises from C-H...pi and pi-pi stacking interactions. The fused naphthofuran moiety in (III) is essentially planar and makes a dihedral angle of 81.61 (3) degrees with the mean plane of the trimethylbenzene ring.
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http://dx.doi.org/10.1107/S0108270105016185 | DOI Listing |
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October 2024
Department of Chemistry, Kuwait University, PO Box 5969, Safat 13060, Kuwait.
The crystal structure of a glycosyl-ated porphyrin () system, CHNO, where two iso-propyl-idene protected galactose moieties are attached to the position of a substituted tetra-aryl porphyrin is reported. This structure reveals that the parent porphyrin is planar, with the galactose moieties positioned above and below the porphyrin macrocycle. This orientation likely prevents porphyrin-porphyrin H-type aggregation, potentially enhancing its efficiency as a photosensitizer in photodynamic therapy.
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October 2024
Department of PG Studies and Research in Physics Albert Einstein Block UCS Tumkur University, Tumkur Karnataka-572103 India.
In the title compound, CHNO, the torsion angle associated with the phenyl benzoate group is -173.7 (2)° and that for the benz-yloxy group is -174.8 (2)° establishing an -type conformation.
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October 2024
Department of Organic Chemistry University of Madras, Guindy Campus Chennai-600 025 Tamilnadu India.
Two new phenyl-sulfonyl-indole derivatives, namely, -{[3-bromo-1-(phenyl-sulfon-yl)-1-indol-2-yl]meth-yl}--(4-bromo-3-meth-oxy-phen-yl)benzene-sulfonamide, CHBrNOS, (), and ,-bis-{[3-bromo-1-(phenyl-sulfon-yl)-1-indol-2-yl]meth-yl}benzene-sulfonamide, CHBrNOS, (), reveal the impact of intra-molecular π-π inter-actions of the indole moieties as a factor not only governing the conformation of ,-bis-(1-indol-2-yl)meth-yl)amines, but also significantly influencing the crystal patterns. For , the crystal packing is dominated by C-H⋯π and π-π bonding, with a particular significance of mutual indole-indole inter-actions. In the case of , the mol-ecules adopt short intra-molecular π-π inter-actions between two nearly parallel indole ring systems [with the centroids of their pyrrole rings separated by 3.
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October 2024
Laboratory of Organic and Physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibnou Zohr University, Agadir, Morocco.
The title mol-ecule, CHBrNO, adopts a cup shaped conformation with the distinctly ruffled imidazolidine ring as the base. In the crystal, weak C-H⋯O hydrogen bonds and C-H⋯π(ring) inter-actions form helical chains of mol-ecules extending along the -axis direction that are linked by additional weak C-H⋯π(ring) inter-actions across inversion centres. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (51.
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October 2024
In the title mol-ecule, CHClNO, the 2-chloro-phenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)].
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