Jagannathan, N. R. ; Subramanian, E. ; Srinivasan, R. ; Trotter, J. (1984) Structure of hexamethylenediammonium phthalate trihydrate, C6H18N22+.C8H4O4 2-.3H2O Acta Crystallographica Section C, 40 . pp. 1743-1744. ISSN 0108-2701
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Official URL: http://scripts.iucr.org/cgi-bin/paper?a23943
Related URL: http://dx.doi.org/10.1107/S0108270184009379
Abstract
Mr=336, triclinic, PI̅, a=8.171 (2), b=9.168 (1), c=12.217 (2)Å, α=83.04 (1), β= 77.96(1), γ=89.97(1)°, V= 888.2 (3) Å3, Z=2, Dm=1.26 (2), Dx=1.26 Mg m-3, Mo Kα, λ= 0.7107Å, μ=1.06 mm-1, T=298 K, F(000)=364, R=0.053 for 3083 reflections with 1>2σ(I). The hexamethylenediammonium ions lie on centres of symmetry and adopt a planar zigzag configuration. The two carboxyl groups of the phthalate ion are twisted by 48.8(3)° in the same sense from the plane of the six-membered ring. The packing arrangement involves spatial segregation of polar and non-polar regions of the molecule s into alternating layers perpendicular to the c axis.
| Item Type: | Article |
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| Source: | Copyright of this article belongs to International Union of Crystallography. |
| ID Code: | 36754 |
| Deposited On: | 12 Apr 2011 10:29 |
| Last Modified: | 26 Apr 2011 11:15 |
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