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1.
Sodium hydrogen dipicolinate dipicolinic acid trihydrate: Synthesis,structure, and valence bond sums
Kim Browning Khalil A. Abboud Gus J. Palenik 《Journal of chemical crystallography》1995,25(12):851-855
The synthesis and crystal structure of sodium hydrogen dipicolinate dipicolinic acid trihydrate, NaHdipic · H2dipic · 3H2O,I, is reported. There is a hydrogen bonded H3(dipic)2
– unit in which an Hdipic– ion functions as a tridentate chelate to the Na+ ion while the second H2dipic functions as a monodentate ligand and bridging unit. The Na+ ion is in the center of a pentagonal bipyramid with two water molecules in the axial positions. The equatorial plane is composed of an Hdipic– ion, a water molecule and an oxygen from the H2dipic. An analysis of data in the Cambridge Structural Database for Na+ compounds using Valence Bond Sums has produced newr
0 values of 1.743 for Na–O and 1.891 for Na–N. 相似文献
2.
Brian R. Landry Mark M. Turnbull Brendan Twamley 《Journal of chemical crystallography》2007,37(2):81-86
2,4-Dioxo-4-phenylbutanoic acid, 1, was synthesized as a biproduct of the attempted synthesis of 1,6-bisphenyl-1,3,4,6-hexanetetrone. Crystals of [Cu(H2O)(bipy)
(L)][Cu(bipy)(L)(NO3)] (H2O)(NO3) (L = 2,4-dioxolato-4-phenylbutanoic acid and bipy = 2,2′-bipyridine), 2, were grown by slow evaporation of a solution of Cu(NO3)2·3 H2O, 2,2′-bipyridine, and 1 in a mixture of ethanol and water. The compound crystallized in the triclinic space group P-1 and is made up of two distinct
molecular units each with approximately square pyramidal geometry: a = 10.663(2) ?, b = 13.275(3) ?, c = 15.071(3) ?, α = 80.26(3)°, β = 74.13(3)°, γ = 89.12(3)°. The copper ions are chelated by molecules of 1 and molecules of bipyridine. The molecular units are arrayed in rows held together by pi-stacking interactions and hydrogen
bonding. 相似文献
3.
Vince C. R. Payne Oliver St. C. Headley Robert T. Stibrany Paul T. Maragh Tara P. Dasgupta Anthony M. Newton Alvin A. Holder 《Journal of chemical crystallography》2007,37(4):309-314
The synthesis, X-ray crystallography, spectroscopic, and electrochemical properties of the title compound, [Hdpa][Cr(dipic)2]·3H2O, 1, are reported. Compound 1 crystallized in the triclinic space group P-1 with a = 7.1057(11) ?, b = 12.965(2) ?, c = 14.269(2) ?, α = 80.306(3)°, β = 82.101(2)°, γ = 83.799(2)°, and V = 1278.6(4) ?3 with Z = 2. The distorted octahedral chromium anions are part of an elaborate network of hydrogen bonding formed by the waters of
solvation, the anion, and cation as well as π-stacking interactions. 相似文献
4.
Isabella L. Karle Y. B. R. D. Rajesh Subramania Ranganathan 《Journal of chemical crystallography》2005,35(10):835-845
Benzenehexacarboxylic acid (mellitic acid) is an ideal substrate for the study of radially arranged ionic interactions with
organic bases. Earlier work has shown that the net charge in MA (−4, −3, or −2) influences its assembly, respectively, either
as ribbons or sheets. In the former case the cations intersperse the ribbons forming a tight network. In the MA sheets from
the latter, the cations are arranged in orthogonal stacks. In the MA-phenanthroline complex such stacks are arranged exactly
parallel resulting in significant π–π interactions. The present work relates to the modification of the phenanthroline motif
to flexible structures. The reported ability of 2,3-bis-(2′-pyridyl) pyrazine (P2), prepared from 2,2′-pyridyl by reaction
with ethylenediamine (EDA) followed by dehydrogenation of the resulting 2,3-bis-(2′-pyridyl)-5,6-dihydropyrazine, to form
helical structures made it an obvious choice for complexation studies with MA. These resulted not only in the formation of
the desired 7 MAP2 complex but also, surprisingly, with the dihydroprecursor complex with EDA 3 (MAEDA), a compound that eluded direct preparation with MA and EDA. The crystal structure of MAEDA reports the first complex
of MA where MA−5 ions are encountered. The 15 hydrogen bonds, three for each N, result in hard packing. The complex with P2 7 (MAP2) showed the common features of MA−2 sheets. Unlike phenanthroline, the nonplanar disposition of the pyridine rings made it possible for both pyridine protons
to be available for salt formation, resulting in the arrangement of the cations in layers interposed between the sheets of
MA−2 ions. The pyrazine ring does not participate in hydrogen bonding or stacking in the crystal. 相似文献
5.
A novel terbium coordination polymer {[Tb(TCB)1/2(H2TCB)1/2(H2O)](H2O)2}n (H2TCB = 1, 2, 4, 5‐benzenetetracarboxylic acid) ( 1 ) has been hydrothermally synthesized and determined by single crystal X‐ray diffraction method, which features a very interesting three‐dimensional framework with large packing cavities. It crystallizes in the monoclinic space group P21/n with a = 1.0723(4) nm, b = 0.7168(3) nm, c = 1.7155(6) nm, β = 97.079(4)°, V = 1.3086(8) nm3, Z = 4, and final R1 = 0.0203, wR2 = 0.0404. In 1, the protonated carboxylate groups are free, the other carboxylate groups are bonded to Tb3+ ion in three modes: the chelating bidentate, the bridging bidentate and bridging tridentate. Moreover each Tb3+ ion is coordinated by nine oxygen atoms from six carboxylate groups and one water molecule respectively to complete a deformed tricapped trigonal prismatic geometry. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献