Methyl (2 '-hydroxybiphenyl-2-yloxy)acetate
ABSTRACT The three independent mol-ecules of the title compound, C(15)H(14)O(4), have similar orientations of their aromatic rings, the dihedral angles between the rings being 57.0 (1), 58.1 (1) and 58.2 (1)°. In each mol-ecule, the hydr-oxy group forms an intra-molecular hydrogen bond to the carbonyl O atom, forming an S(10) ring motif.
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Article: A short history of SHELX[Show abstract] [Hide abstract]
ABSTRACT: An account is given of the development of the SHELX system of computer programs from SHELX-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in SHELX, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long. SHELXL is the most widely used program for small-molecule refinement and SHELXS and SHELXD are often employed for structure solution despite the availability of objectively superior programs. SHELXL also finds a niche for the refinement of macromolecules against high-resolution or twinned data; SHELXPRO acts as an interface for macromolecular applications. SHELXC, SHELXD and SHELXE are proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines for high-throughput phasing. This paper could serve as a general literature citation when one or more of the open-source SHELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.Acta Crystallographica Section A Foundations of Crystallography 02/2008; 64(Pt 1):112-22. DOI:10.1107/S0108767307043930 · 2.07 Impact Factor
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ABSTRACT: The title compound, C(24)H(30)O(6), does not exhibit π-π inter-actions due to the steric effect of the bulky tert-butyl groups present in the mol-ecule. The presence of these groups at the 2 and 2' positions hinders the free motion of the benzene rings relative to each other, causing them to adopt an anti-periplanar arrangement. The benzene rings are twisted by just under 50.96 (17)° with respect to each other. The carbonyl groups within the mol-ecule are directed in different directions, one towards the biphenyl group and the other away from it. The mol-ecules are linked together by C=O⋯H-C hydrogen bonds.Acta Crystallographica Section E Structure Reports Online 08/2008; 64(Pt 8):o1408. DOI:10.1107/S1600536808019764 · 0.35 Impact Factor
Journal of Supramolecular Chemistry 07/2001; 1(4-6):189―191. DOI:10.1016/S1472-7862(02)00030-8