Low-temperature,high-resolution crystal structure study of tricyclo[3.3.1.13,7]decan-2-ol (adamantanol-2) |
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Authors: | Jan A Kanters Rob W W Hooft Albert J M Duisenberg |
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Institution: | (1) Laboratory for Crystal and Structural Chemistry, Rijksuniversiteit Utrecht, Padualaan 8, 3584 CH Utrecht, The Netherlands |
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Abstract: | The structure of the title compound (C10H15OH) was determined by X-ray diffraction at liquid nitrogen temperature. The crystals are triclinic, spacegroupP¯1 witha=11.3686(5),b=11.3990(5),c=11.4353(6) Å,=82.193(4),=70.211(4) and =62.279(4)°,V
c
=1233.9(1) Å3,Z=6,F(000)=504,D
x
=1.229 g cm–3; MoK radiation, =0.71073 Å,(MoK)=0.7 cm–1. FinalR factor=0.046 andwR=0.062 for 8162 reflections withI>2.5(I). The asymmetric unit consists of three independent adamantanol-2 molecules which together with the three symmetry-related molecules form a cluster having pseudo ¯3 symmetry. The six molecules in the cluster are connected by six O-HO hydrogen bonds, the oxygens of which constitute an almost ideal chair conformation. |
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Keywords: | |
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