Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 87-41-2, Name is Isobenzofuran-1(3H)-one, SMILES is O=C1OCC2=C1C=CC=C2, in an article , author is Diana, Rosita, once mentioned of 87-41-2, HPLC of Formula: C8H6O2.
Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-meth-oxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)-benzofuran-3-carboxylate
The title benzofuran derivatives 2-amino-5-hydroxy-4-(4-nitrophenyl) benzo-furan-3-carboxylate (BF1), C19H18N2O6, and 2-methoxyethyl 2-amino-5-hydroxy- 4-(4-nitrophenyl) benzofuran-3-carboxylate (BF2), C18H16N2O7, recently attracted attention because of their promising antitumoral activity. BF1 crystallizes in the space group P (1) over bar. BF2 in the space group P21/c. The nitrophenyl group is inclined to benzofuran moiety with a dihedral angle between their mean planes of 69.2 (2)degrees in BF1 and 60.20 (6)degrees in BF2. A common feature in the molecular structures of BF1 and BF2 is the intramolecular N-H center dot center dot center dot O-carbonyl hydrogen bond. In the crystal of BF1, the molecules are linked head-to-tail into a one-dimensional hydrogen-bonding pattern along the a-axis direction. In BF2, pairs of head-to-tail hydrogen-bonded chains of molecules along the b-axis direction are linked by O-H center dot center dot center dot O-methoxy hydrogen bonds. In BF1, the butyl group is disordered over two orientations with occupancies of 0.557 (13) and 0.443 (13).
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Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem