Crystal engineering based on nitro derivatives of 10-hydroxy-10,9-borazarophenanthrene

Tetrahedron Letters

Volumn 38, Issue 35, 1997, Pages 6281-6284

  Robinson, James M A ^a   Kariuki, Benson M ^a   Philp, Douglas ^a   Harris, Kenneth D M ^a  

^a UNIVERSITY OF BIRMINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

10 HYDROXY 10,9 BORAZAROPHENANTHRENE DERIVATIVE; BORANE DERIVATIVE; FUNCTIONAL GROUP; NITRO DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ENGINEERING; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; HYDROGEN BOND; MOLECULAR RECOGNITION;

EID: 0030877121     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4039(97)01408-1     Document Type: Article

References (22)

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15. +].
16. w = 0.1588.
17. The normalisation of X-ray hydrogen bond geometries determined from X-ray diffraction data usually relies on the use of a standard value for the Donor-H distance as derived from neutron diffraction data. As a result of the absence of accurate experimental information on structures related to 1. 2 and 3 we have used N-H and O-H bond lengths taken from our ab initio (HF/6-31G(d.p)) calculations.
18. w = 0.1261.
19. 2⋯H-O contacts (O⋯H ≤ 2.8 Å) the mean O⋯H distance is 2.34 Å and the mean O⋯H-O angle is 160°. In these structures, the proton is usually much closer to one of the oxygen atoms of the nitro group than the other - in 4-nitrophenol, for example, the two O⋯H distances are 1.84 Å and 2.55 A.
20. C.E. Dykstra, Chem. Rev., 1993, 93, 2339; R. Taylor, O. Kennard, Acc. Chem. Res. 1984, 17, 320; R. Taylor, O. Kennard, W. Verischel, Acta Crystallogr., Sect. B 1984, B40, 280.
21. C.E. Dykstra, Chem. Rev., 1993, 93, 2339; R. Taylor, O. Kennard, Acc. Chem. Res. 1984, 17, 320; R. Taylor, O. Kennard, W. Verischel, Acta Crystallogr., Sect. B 1984, B40, 280.
22. C.E. Dykstra, Chem. Rev., 1993, 93, 2339; R. Taylor, O. Kennard, Acc. Chem. Res. 1984, 17, 320; R. Taylor, O. Kennard, W. Verischel, Acta Crystallogr., Sect. B 1984, B40, 280.