共查询到20条相似文献,搜索用时 15 毫秒
1.
Elena V. Basiuk Vladimir A. Basiuk Rubéen Alfredo Toscano Jacobo Gómez-Lara 《Journal of chemical crystallography》2000,30(5):339-343
A 1:1:2 complex of 1,4,8,11-tetraazacyclotetradecane (cyclam), anthraflavic acid, and water has been obtained and characterized by X-ray diffraction. C24H36N4O6, monoclinic, P21/c, a = 11.966(1) Å, b = 11.570(1) Å, c = 9.604(1) Å, = 107.16(1)°,V = 1270.5(2) Å3, Z = 2. Two of the four N atoms of the macrocyclic ring are protonated, and the corresponding anthraflavic acid exists as a dianion. The following types of H-bonding have been found in this complex: (1) between protonated NH groups of the macrocycle and O atoms of the ionized anthraflavic hydroxyls; (2) between protonated and nonprotonated NH groups of the macrocycle; (3) between the water molecules and O atoms of the ionized anthraflavic hydroxyls. The above interactions give rise to the formation of a 2D-supramolecular network in the cyclam complex; however, the major difference from the azamacrocyclic anthraflavates studied previously is that there is no direct interaction between the anthraflavic anions.Deceased 相似文献
2.
Jacobo Gómez-Lara Vladimir A. Basiuk Elena V. Basiuk Simón Hernández-Ortega 《Journal of chemical crystallography》1999,29(4):469-473
A 1:2:2 complex of diaza crown ether 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, anthraflavic acid (2,6-dihydroxyanthraquinone) and water has been synthesized. The crystal is triclinic, P1, with a = 7.705(2), b = 10.871(2), c = 11.540(2) Å, = 100.40(2), = 91.38(2), = 98.01(2)°, Z = 1, and Dcalc = 1.375 mg m–3. The main feature of the crystal structure is the formation of a supramolecular sheet by hydrogen bonding of the anthraflavic monoanions, not only head-to-tail through the hydroxyl oxygens, but sideways through the quinone oxygens. This complex represents an intermediate case between total transfer of protons of a hydroxy-guest to crown N-atoms, and no transfer. 相似文献
3.
Fabiana H. O. Ishiruji David J. Evans Tai Hasegawa Fábio S. Nunes 《Journal of chemical crystallography》2006,36(6):365-369
The synthesis and detailed characterization of the macrocyclic complex [Fe(meso)(CH3CN)2](ClO4)2·2CH3CN (meso: 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane) based on analytical, spectrometric, spectroscopic and X-ray diffraction methods are reported herein. This is the first single crystal structure of an iron-meso complex ever reported in the literature. The molecular structure revealed a tetragonally distorted octahedral geometry with the iron(II) bound to four amine nitrogens in the equatorial plane, while the apical positions are occupied by acetonitrile molecules. The macrocycle adopts the most stable conformation with the six-membered rings in chair form, while the gauche conformation is seen for the five-membered rings. The compound crystallizes in the space group P21/n, with cell parameters a=10.139(1), b=12.237(1), c=13.311(1) ?, β=99.542(2)° and Z=2.Supplementary material CCDC-239983 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge at [or from the Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44(0)1223–336033; email: deposit@ccdc.cam.ac.uk].” 相似文献
4.
Melvyn Rowen Churchill Thomas S. Janik K. O. Aileen Chin Janet R. Morrow 《Journal of chemical crystallography》1997,27(5):319-324
The title complex crystallizes in the centrosymmetric monoclinic space group P21/n with Z=2. The cation is the diprotonated derivative of the neutral octadentate macrocyclic ligand C10H20N4(CH2CH2OH)4; the two protonated nitrogen atoms are as far apart as is possible in the 14-membered ring (1-and 8-positions) so as to minimize
electrostatic repulsions. Each of the [C10H22N4(CH2CH2OH)4
2+] cations is involved in hydrogen bonding (through the four hydroxy groups) to oxygen atoms on four different peripheral [CF3SO3
−] anions. 相似文献
5.
The structure of the complex of 2-ethylpyridine with 2,6-dichloro-4-nitrophenol has been determined by X-ray diffraction. The crystals are monoclinic, space group P21/c,a=11.134(2),b=7.558(1),c=17.586(2) Å, =104.94(2)° andZ=4. The N+-H...O– bridge of 2.613(2) Å with 相似文献
6.
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
7.
Abstract Proton transfer occurred during co-crystallization of 1,2-(4-pyridyl)ethane with 2-(4-hydroxyphenylazo)benzoic acid to yield
a salt comprising a 1:2 ratio of 1,2-bis(4-pyridinium)ethane dications and 2-(4-hydroxyphenylazo)benzoate anions. Centrosymmetrically
related anions associate by charge-assisted O–H···O hydrogen bonds to form 24-membered {···OC3N2C4OH}2 synthons. These are connected into a supramolecular polymer via charge-assisted N–H···O hydrogen bonds involving the 1,2-bis(4-pyridinium)ethane
dications. The compound crystallizes in the triclinic space group P−1 with a = 8.517(4) ?, b = 9.110(5) ?, c = 10.477(5) ?, α = 96.850(13)°, β = 94.446(12)°, γ = 104.946(10)° and Z = 1 {two anions and a dication}.
Index Abstract Supramolecular chains mediated by charge-assisted O–H···O and N–H···O hydrogen bonding are found in the salt containing a
1:2 ratio of 1,2-bis(4-pyridinium)ethane dications and 2-(4-hydroxyphenylazo)benzoate anions.
相似文献
8.
Ya Xiong Taicheng An Chun He Yi Liu Jiang Chen Changhong Zha Hans T. Karlsson Xiaoming Chen 《Journal of chemical crystallography》2002,32(8):219-225
1:2 Cocrystals of piperazine (PPN) with o- and p-nitrophenol (oNPH and pNPH) were obtained from aqueous solution. The co-crystal structure of PPN, 2pNPH, and 2H2O is triclinic space group
: a = 6.401(1) Å, b = 6.7515(1) Å, c = 11.219(1) Å, = 100.37(1)°, = 97.10(1)°, = 99.99(1)°,V= 465.5(1) Å3, Z = 2. Refinement led to a final conventional R value of 0.0365 for 2081 reflections. PPN, 2oNPH, and 2H2O cocrystallize in the monoclinic space group P21 : a = 7.753(1) Å, b = 10.888(2) Å, c = 11.378(2) Å, = 92.89(1)°, V = 953.1(3) Å3, Z = 2. Refinement led to a final conventional R value of 0.0347 for 1978 reflections. It was found in both cocrystals that the hydroxyl H-atom of pNPH and oNPH was transferred to a N-atom of PPN, forming new ionic complexes PPNH2
2+2(oNP–) and PPNH2
2+2(pNP–), respectively. 相似文献
9.
The crystals of catena-dichloro-(dihydrogen pyrazine-2,6-dicarboxylato-O,O′,N,-N′) copper(II) dihydrate Cu[H2(2,6-PZDC)]Cl2?2H2O are monclinic, space group C2/c with a = 11.658(2) Å, b = 6.778(1) Å, c = 16.390(3) Å, β = 98.90(3)°, and Z = 4. Two adjacent copper(II) ions are bridged by a fully protonated pyrazine-2,6-dicarboxylic acid molecule which uses for bridging its O,O′,N-bonding moiety on one side and a single hetero-ring nitrogen atom on the other. Two chloride ions in axial position complete the octahedral coordination around the metal ions with bond distances: Cu–N 2.027(3) ÅA, Cu–N′ 2.005(3) ÅA, Cu–Cl. 2.281(1) ÅA, and Cu–O 2.446(2) ÅA. Copper(II) ions are located in the center of symmetry and are coplanar with the ligand acid molecule forming flat molecular chains propagating in the direction of the b axis. Hydrogen bonds via solvation water molecule link the chains into molecular layers parallel to the ac plane. Weak van der Waals type interactions operate between the layers. 相似文献
10.
Yu Wang Christopher G. F. Cooper Brian S. Luisi Brian Moulton John C. MacDonald 《Journal of chemical crystallography》2007,37(4):299-308
Reaction of 1,2-bis(2,6-dicarboxypyridin-4-yl)ethyne and imidazole with Cu(II) produces crystals containing a discrete complex
of [μ-4,4′-(1,2-ethynediyl)-bis(pyridine-2,6-dicarboxylato)-N, O, O′-μ-N′, O′′, O′′′]-diaqua-bis(imidazole)-dicopper(II) complex
(1), [(C16H4N2O8)(C3H4N2)2(H2O)2Cu2] instead of a linear coordination polymer. The complex crystallizes in the monoclinic space group P21/n with a = 5.3763(8) ?, b = 18.522(3) ?, c = 11.4827(7) ?, β = 93.705(3) ° and Z = 2. The complex sits on a center of symmetry such that the two halves of the molecule are related by inversion symmetry.
The molecules pack in layers in which the molecules are joined by intermolecular N–H⋯O hydrogen bonds between imidazole and
carboxylate groups and O–H⋯O hydrogen bonds between carboxylate groups and water. 相似文献
11.
Zhi Min Jin Mao Lin Hu Zu Guang Li Ri Cheng Xuan Kai Bei Yu 《Journal of chemical crystallography》2004,34(10):657-660
In the title complex, C13H11N3O6, it is observed that the very strong NHO [NsO 2.525(2) Å] holds the molecules of 3,5-dinitrobenzoic acid and 4-methylpyridine together, and that the hydrogen atom is centered between the hydrogen donor and acceptor in that hydrogen bond. The heterocyclic moiety appears as an intermediate between pyridine and pyridinium, while the benzoic acid between carboxylate and carboxylic group. The title complex is further stabilized by CHO hydrogen bonds and – interaction. 相似文献
12.
A new complex of Zinc(II) and guanidinium pyridine–2,6–dicarboxylate proton transfer compound, (GnH)2 (pydc), was synthesized and characterized using IR, 1H NMR and 13C NMR spectroscopy and single crystal X–ray diffraction. The chemical formula and space group of the resulting complex is (GnH)[Zn(pydc)(pydcH)] · (pydcH2) · 4H2O, P 1 where the final R value is 0.0310 for 13287 reflections collected. The [Zn(pydc)(pydcH)]– anions and the (GnH)+ counter‐cations form a three‐dimensional solid‐state structure by a variety of noncovalent interactions such as ion pairing, hydrogen bonding and π–π stacking which are going to be discussed. (© 2007 WILEY ‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
13.
M. Sapnakumari K. Divya K. Singh S. Anthal V. K. Gupta 《Molecular Crystals and Liquid Crystals》2014,605(1):146-154
Ethyl 2-amino-4-(4-fluorophenyl)-6-phenylcyclohexa-1,3-diene-1-carboxylate was synthesized from ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate and ammonium acetate in glacial acetic acid. The synthesized compound was characterized by elemental analysis, FT-IR, thermogravimetric analysis (TGA), differential thermal analysis (DTA), UV-Visible, and single-crystal X-ray diffraction. The title compound, ethyl 2-amino-4-(4-fluorophenyl)-6-phenylcyclohexa-1,3-diene-1-carboxylate, C21H2OFNO2, crystallizes in the orthorhombic space group Pbca with the following unit-cell parameters: a = 17.417(2), b = 9.7287(9), c = 21.014(2) Å, and Z = 8. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0644 for 1616 observed reflections. An intramolecular N–H…O hydrogen bond generates an S(6) graph-set motif. In the crystal, molecules are linked by N–H…O hydrogen bonds, forming a two-dimensional network. 相似文献
14.
A. Nallini K. Saraboji M. N. Ponnuswamy M. Venkatraj R. Jeyaraman 《Crystal Research and Technology》2005,40(6):622-626
Adducing structural analogies between the two fused systems, N1, N5‐Dibenzoyltetrahydro‐4‐methyl‐1,5‐benzodiazepin‐2‐one, C24H20N2O3 (DBTBO CCDC 200341) and Tetrahydro‐4‐methyl‐1,5‐benzodiazepin‐2‐one, C10H12 N2O (TBO CCDC 200342) helps to find the pharmacological differences from the view point of variant hetero atom substitutions in the hetero cycle. Both the diazepines crystallized in identical monoclinic space group P21/n with a = 14.1134(1) Å, b = 9.2444(1) Å, c = 16.3812(1) Å; β = 107.11(1)º, V = 2042.7(3) Å3 for DBTBO and a = 9.3363(7) Å, b = 10.4895(8) Å, c = 9.9852(7) Å, β = 91.314(1)º, V = 977.62(1) Å3 for TBO, respectively. The two structures were solved by direct methods and refined by full‐matrix least‐squares procedure to final R‐values of R1 = 0.0575(DBTBO) and R1 = 0.0984(TBO). Structural differences include non‐identical boat conformations of these seven‐membered rings and the different non‐bonding interactions in the benzodiazepine pair. 相似文献
15.
The title compound is a structurally related isomer of diltiazem, a well known drug. This compound (C18H17NO5S) crystallizes in the space group P21/n with a = 13.803(4), b = 7.704(3), c = 16.093(3) Å, β = 105.37(2)º, Z = 4, V = 1650.1(9) Å3. The least‐squares refinement gave residual index R = 0.067 for 2831 observed reflections. The distorted seven‐membered ring in the molecule shows twist‐boat conformation. Hydrogen bonds in which the amide group at one molecule and a carbonyl group in the adjacent molecule are involved to form centrosymmetric dimers in the crystal. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
16.
Wei-Yin Sun Jian Fan Jun Hu Kai-Bei Yu Wen-Xia Tang 《Journal of chemical crystallography》2000,30(2):115-118
The molecule 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb) crystallizes as a monohydrate in the monoclinic space group C2/c with a = 20.888(4), b = 13.220(2), c = 14.385(2) Å, = 90.36(1)°. Two of three imidazole groups are on one side of the central benzene ring, and the other one is on the opposite side. The crystal packing of titmb is stabilized by O-H--N hydrogen bonding between the water molecule and nitrogen atoms of the imidazole group. The complete 1H and 13C NMR assignments for titmb were carried out by 2D NMR spectral measurements. 相似文献
17.
Edward J. Valente Jeffrey D. Zubkowski Ali Jabalameli Sam Mazhari Ramiyer Venkatraman R. H. Sullivan 《Journal of chemical crystallography》1998,28(1):27-33
The structures of three alkyl derivatives of thiosemicarbazide are described: anti,Z-4,4-dimethyl-3-thiosemicarbazide (1), syn,E,Z-2,4-dimethyl-3-thiosemicarbazide (2), and syn,E-1-cyclopentano-3-thiosemicarbazone (3). Crystal data: for 1: triclinic, P-1 (#2), a = 5.802(1)Å, b = 6.935(1)Å, c = 8.104(2)Å, = 78.35(1)°, = 82.13(1)°, = 70.71(1)°, and Z = 2; for 2: orthorhombic, Pbca (#61), a = 9.417(3)Å, b = 8.624(2)Å, c = 15.169(3)Å, and Z = 8; for 3: triclinic, P-1 (#2), a = 6.068(3)Å, b = 8.145(4)Å, c = 8.666(5)Å, = 83.75(4)°, = 86.16(5)°, = 74.07(4)°, and Z = 2. In general, molecules are linked by N–H···S hydrogen bonds with sulfurs accepting two or three hydrogen bonds. Structures 2 and 3, which adopt the syn conformation, form N–H···N intramolecular hydrogen bonds. The solid-state structures are consistent with their infrared and proton nuclear magnetic resonance spectra. 相似文献
18.
Melvyn Rowen Churchill David George Churchill My Hang Vo Huynh Kenneth J. Takeuchi Ronald K. Castellano Donald L. Jameson 《Journal of chemical crystallography》1996,26(2):93-97
The title compound consists of two planar pyrazolyl fragments oriented at 73.0° to each other and linked to a common carbon atom. All hydrogen atoms were located unambiguously and their positions were refined. 相似文献
19.
A novel series of hydrogen-bonded liquid crystals are synthesised. The hydrogen bond is formed between non-mesogenic salicylic acid and the mesogenic p-n-alkoxy benzoic acids with n = 4–8, 10–12 and 16. The formation of hydrogen bond is confirmed from infrared studies. The transition temperatures and the phase identification are made with the use of polarising microscope (POM) attached with a hot stage. Further, the heats of transition and enthalpies are obtained by employing the differential scanning calorimeter (DSC). Along with POM and DSC, textural image analysis is done by image-processing techniques using MATLAB software and transition temperatures are identified. The results reveal that the compounds with the chain number n = 7, 8, 10–12 show the manifestation of smectic-B phase by quenching smectic-C phase. 相似文献
20.
E. W. Reinheimer A. W. Kohn R. H. Groeneman H. R. Krueger K. Kantardjieff 《Molecular Crystals and Liquid Crystals》2016,629(1):70-77
Amino alcohols are important ligands for the asymmetric catalytic hydroamination of aminoallenes to form chiral pyrrolidines. Herein, we report the crystal structures of two chiral amino alcohols, D-N-(2-Adamantyl)phenylglycinol and L-N-(2-Adamantyl)diphenylphenylalinol, that function as ligands within transition metal complexes that catalyze the hydroamination of aminoallenes. Both molecules crystallize in the noncentrosymmetric orthorhombic space group P212121. Inter- and intramolecular hydrogen bonding plays an important role in stabilizing each alcohol in the solid state in the absence of a transition metal. The presence of these hydrogen bonds has been verified by single crystal X-ray diffraction and their overall strength determined by computational methods. 相似文献