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1.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o575-o581
The crystal structures of quinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate trihydrate, C9H8N+·C7H5O6S−·3H2O, (I), 8‐hydroxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate monohydrate, C9H8NO+·C7H5O6S−·H2O, (II), 8‐aminoquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate dihydrate, C9H9N2+·C7H5O6S−·2H2O, (III), and 2‐carboxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate quinolinium‐2‐carboxylate, C10H8NO2+·C7H5O6S−·C10H7NO2, (IV), four proton‐transfer compounds of 5‐sulfosalicylic acid with bicyclic heteroaromatic Lewis bases, reveal in each the presence of variously hydrogen‐bonded polymers. In only one of these compounds, viz. (II), is the protonated quinolinium group involved in a direct primary N+—H⋯O(sulfonate) hydrogen‐bonding interaction, while in the other hydrates, viz. (I) and (III), the water molecules participate in the primary intermediate interaction. The quinaldic acid (quinoline‐2‐carboxylic acid) adduct, (IV), exhibits cation–cation and anion–adduct hydrogen bonding but no direct formal heteromolecular interaction other than a number of weak cation–anion and cation–adduct π–π stacking associations. In all other compounds, secondary interactions give rise to network polymer structures. 相似文献
2.
Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m475-m477
The molecules of 8‐hydroxyquinolinium‐2‐carboxylate, C10H7NO3, have a planar structure, in which the carboxyl group is ionized and the ring N atom is protonated. The derived nickel(II) complex, bis(8‐hydroxyquinoline‐2‐carboxylato‐κ3O2,N,O8)nickel(II) trihydrate, [Ni(C10H6NO3)2]·3H2O, contains an octahedral central NiII ion coordinated by the hydroxyl O atom, the ring N atom and the carboxylate O atom of each of the two tridentate ligands, with a perpendicular orientation of the quinoline rings. 相似文献
3.
S. Shanmuga Sundara Raj Ibrahim Abdul Razak Hoong‐Kun Fun Pu‐Su Zhao Fangfang Jian Xujie Yang Lude Lu Xin Wang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e130-e131
In the crystal of the title complex, [Co(C9H6NO)3]·C2H5OH, the central Co atom has a distorted octahedral coordination comprised of three N atoms and three O atoms from the three 8‐quinolinolato ligands. The three Co—O bond distances are in the range 1.887 (2)–1.910 (2) Å, while the three Co—N bond distances range from 1.919 (2) to 1.934 (2) Å. The solvent ethanol molecule forms an intermolecular O—H?O hydrogen bonding with a quinolinolato ligand. 相似文献
4.
Dejan Poleti Ljiljana Karanovi Vukadin M. Leovac Violeta S. Jevtovi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):m73-m75
The title compound, dibromo(3‐hydroxy‐5‐hydroxymethyl‐2‐methyl‐4‐pyridinecarboxaldehyde semicarbazone‐κ3N1,O3,O3′)copper(II), [CuBr2(C9H12N4O3)], consists of discrete complex units with the tridentate pyridoxal semicarbazone ligand as a zwitterion in an almost planar configuration. The CuII ions are in a distorted square‐pyramidal coordination, with the equatorial Br atom at a distance of 2.4017 (6) Å and the apical Br atom at a distance of 2.6860 (6) Å. 相似文献
5.
Russell G. Baughman Kenneth L. Martin Rajendra K. Singh James O. Stoffer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o103-o106
In 2,4‐dihydroxybenzaldehyde 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate {or 4‐[(2,4‐dinitrophenyl)hydrazonomethyl]benzene‐1,3‐diol N,N‐dimethylformamide solvate}, C13H10N4O6·C3H7NO, (X), 2,4‐dihydroxyacetophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate (or 4‐{1‐[(2,4‐dinitrophenyl)hydrazono]ethyl}benzene‐1,3‐diol N,N‐dimethylformamide solvate), C14H12N4O6·C3H7NO, (XI), and 2,4‐dihydroxybenzophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylacetamide solvate (or 4‐{[(2,4‐dinitrophenyl)hydrazono]phenylmethyl}benzene‐1,3‐diol N,N‐dimethylacetamide solvate), C19H14N4O6·C4H9NO, (XII), the molecules all lack a center of symmetry, crystallize in centrosymmetric space groups and have been observed to exhibit non‐linear optical activity. In each case, the hydrazone skeleton is fairly planar, facilitated by the presence of two intramolecular hydrogen bonds and some partial N—N double‐bond character. Each molecule is hydrogen bonded to one solvent molecule. 相似文献
6.
Fangfang Jian Ying Wang Lude Lu Xujie Yang Xin Wang Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):714-716
The crystal structures of tris(2‐methylquinolin‐8‐olato‐N,O)iron(III), [Fe(C10H8NO)3], (I), and aquabis(2‐methylquinolin‐8‐olato‐N,O)copper(II), [Cu(C10H8NO)2(H2O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central CuII atom and H2O group lie on the crystallographic twofold axis and the coordination geometry of the CuII atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the molecules into a linear chain along the b axis. 相似文献
7.
Bernardo Masci Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o575-o579
Four derivatives of 2,6‐bis(hydroxymethyl)phenol, with various para substituents, have been investigated; these are 2,6‐bis(hydroxymethyl)‐4‐methylphenol, C9H12O3, (I), 2,6‐bis(hydroxymethyl)‐4‐methoxyphenol, C9H12O4, (II), 2,6‐bis(hydroxymethyl)‐4‐phenoxyphenol, C14H14O4, (III), and 2,6‐bis(hydroxymethyl)‐4‐[1‐(4‐methoxyphenyl)‐1‐methylethyl]phenol, C18H22O4, (IV). All four structures display hydrogen‐bonding networks resulting in sheets, with possible weak inter‐sheet π–π interactions in one case. In all the structures but one, the molecules form centrosymmetric dimeric subunits held together by two hydrogen bonds between the hydroxymethyl groups and, in two cases, by probable π–π interactions. 相似文献
8.
Paul G. Jene Christopher G. Pernin James A. Ibers 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):730-734
The X‐ray structure of 1,2,4,5‐tetrahydroxybenzene (benzene‐1,2,4,5‐tetrol) monohydrate, C6H6O4·H2O, (I), reveals columns of 1,2,4,5‐tetrahydroxybenzene parallel to the b axis that are separated by 3.364 (12) and 3.453 (11) Å. Molecules in adjacent columns are tilted relative to each other by 27.78 (8)°. Water molecules fill the channels between the columns and are involved in hydrogen‐bonding interactions with the 1,2,4,5‐tetrahydroxybenzene molecules. The crystal structure of the adduct 1,2,4,5‐tetrahydroxybenzene–2,5‐dihydroxy‐1,4‐benzoquinone (1/1), C6H6O4·C6H4O4, (II), reveals alternating molecules of 1,2,4,5‐tetrahydroxybenzene and 2,5‐dihydroxy‐1,4‐benzoquinone (both lying on inversion centers), and a zigzag hydrogen‐bonded network connecting molecules in three dimensions. For compound (II), the conventional X‐ray determination, (IIa), is in very good agreement with the synchrotron X‐ray determination, (IIb). When differences in data collection temperatures are taken into account, even the displacement parameters are in very good agreement. 相似文献
9.
Kishie Noguchi Takashi Tamura Hidetaka Yuge Takeshi Ken Miyamoto 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):171-173
In two linkage isomers, bis[1,3‐dimethyl‐2,4,6(1H,3H,5H)‐pyrimidinetrionato]‐C5,O4‐(ethylenediamine‐N,N′)platinum(II), [Pt(C6H7N2O3)2(C2H8N2)], (I), and bis[1,3‐dimethyl‐2,4,6(1H,3H,5H)‐pyrimidinetrionato‐C5](ethylenediamine‐N,N′)platinum(II) dihydrate, [Pt(C6H7N2O3)2(C2H8N2)]·2H2O, (II), crystallized from the same aqueous solution containing [Pt(en)(OH)2] and 1,3‐dimethylbarbituric acid (Hdmbarb) in a 1:2 molar ratio, a pair of monodentate dmbarb? anions coordinate to the Pt atom at tetrahedral C atoms for (II), while one dmbarb? anion coordinates at the carbon and the other at a deprotonated enol oxygen for (I). The Pt—C distances in (I) and (II) are comparable: 2.112 (4) Å for (I), and 2.114 (4) and 2.117 (4) Å for (II). 相似文献
10.
Young Ho Jhon Jaheon Kim 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m334-m336
The title compound, {[Zn(C8H4O5)(C3H7NO)2]·0.5C7H8}n, is a one‐dimensional coordination polymer in which the Zn atoms are linked by bridging 5‐hydroxybenzene‐1,3‐dicarboxylate ligands. These polymeric chains form two‐dimensional sheets via interchain hydrogen bonds, and these sheets, in turn, are stacked tightly with solvent toluene molecules in the interlayer space. The N,N′‐dimethylformamide ligands, coordinated axially to the Zn atoms, form van der Waals contacts with ligands in neighboring sheets, and enclose the guest molecules. 相似文献
11.
Graham Smith Urs D. Wermuth Peter C. Healy 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o600-o603
The crystal structures of the proton‐transfer compounds of 8‐quinolinol (oxine) with the aromatic sulfonic acids 2‐aminobenzenesulfonic acid (orthanilic acid) and 8‐hydroxy‐7‐iodoquinoline‐5‐sulfonic acid (ferron) have been determined. In both 8‐hydroxyquinolinium 2‐aminobenzenesulfonate, C9H8NO+·C6H6NO3S−, (I), and 8‐hydroxyquinolinium 8‐hydroxy‐7‐iodoquinoline‐5‐sulfonate sesquihydrate, C9H8NO+·C9H6INO4S−·1.5H2O, (II), extensive hydrogen‐bonding interactions, together with significant cation–cation [in (I)] and cation–anion [in (II)] π–π stacking associations, give rise to layered polymer structures. 相似文献
12.
Yael Diskin‐Posner Goutam Kumar Patra Israel Goldberg 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m344-m346
The title compound, [5,10,15,20‐meso‐tetrakis(4‐hydroxyphenyl)porphyrinato‐κ4N]zinc(II) tris(dibenzo‐24‐crown‐8) methanol tetrasolvate, [Zn(C44H28N4O4)]·3C24H32O8·4CH4O, was synthesized and its molecular structure precisely characterized by low‐temperature single‐crystal analysis. All the components are involved in hydrogen bonding with each other, thus forming an extensively hydrogen‐bonded supramolecular lattice. The functionalized porphyrin moiety coordinates both equatorially and axially to the neighboring species. 相似文献
13.
Vijay Mahadevan Iyer Helen Stoeckli‐Evans Anthony D'Alo Luisa De Cola Peter Belser 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o259-o261
Structure analyses of 4,4′‐bis(4‐hydroxybutyl)‐2,2′‐bipyridine, C18H24N2O2, (I), and 4,4′‐bis(4‐bromobutyl)‐2,2′‐bipyridine, C18H22Br2N2, (II), reveal intermolecular hydrogen bonding in both compounds. For (I), O—H·N intermolecular hydrogen bonding leads to the formation of an infinite two‐dimensional polymer, and π stacking interactions are also observed. For (II), C—H·N intermolecular hydrogen bonding leads to the formation of a zigzag polymer. The two compounds crystallize in different crystal systems, but both molecules possess Ci symmetry, with one half molecule in the asymmetric unit. 相似文献
14.
Udo Beckmann Sally Brooker 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o653-o655
The structure of the cocrystallized 1:1 adduct of (S,S)‐4‐amino‐3,5‐bis(1‐hydroxyethyl)‐1,2,4‐triazole and (S,S)‐1,2‐bis(2‐hydroxypropionyl)hydrazine, C6H12N4O2·C6H12N2O4, has tetragonal symmetry. All eight O‐ and N‐bound H atoms are involved in intermolecular hydrogen bonds, resulting in infinite zigzag chains of the triazole molecules, with the hydrazine molecules filling the gaps between the chains and completing a three‐dimensional hydrogen‐bonded array. 相似文献
15.
Erich Dubler Helmut W. Schmalle Frdric Arod Alain Schneider 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m111-m115
The syntheses and structures of two mixed‐ligand complexes of platinum(II) with deprotonated oxopurine bases and triphenylphosphine are reported, namely the theophyllinate complex cis‐bis(1,2,3,6‐tetrahydro‐1,3‐dimethylpurine‐2,6‐dionato‐κN7)bis(triphenylphosphine‐κP)platinum(II), [Pt(C7H7N4O2)2(C18H15P)2], (I), and the theobrominate complex cis‐chloro(1,2,3,6‐tetrahydro‐3,7‐dimethylpurine‐2,6‐dionato‐κN1)bis(triphenylphosphine‐κP)platinum(II) ethanol hemisolvate, [PtCl(C7H7N4O2)(C18H15P)2]·0.5C2H5OH, (II). In (I), the coordination geometry of Pt is square planar, formed by the two coordinating N atoms of the theophyllinate anions in a cis arrangement and two P atoms from the triphenylphosphine groups. In (II), there are two crystallographically independent molecules. They both exhibit a square‐planar coordination geometry around Pt involving one Cl atom, the coordinating N atom of the theobrominate anion and two P atoms from the triphenylphosphine groups. The two triphenylphosphine groups are arranged in a cis configuration in both structures. The heterocyclic rings are rotated with respect to the coordination plane of the metal by 82.99 (8) and 88.09 (8)° in complex (I), and by 85.91 (16) and 88.14 (18)° in complex (II). Both structures are stabilized by intramolecular stacking interactions involving the purine rings and the phenyl rings of adjacent triphenylphosphine moieties. 相似文献
16.
Kazuo Yokokawa Yoshimi Yokoyama Ken Sakai 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m36-m41
The syntheses and crystal structures of the title Pt2II and Pt2III dimers doubly bridged with N,N‐dimethylguanidinate ligands, namely bis(μ‐N,N‐dimethylguanidinato)bis[(2,2′‐bipyridine)platinum(II)](Pt—Pt) bis(hexafluorophosphate) acetonitrile disolvate, [Pt2II(C3H8N3)2(C10H8N2)2](PF6)2·2CH3CN, (I), and guanidinium bis(μ‐N,N‐dimethylguanidinato)bis[(2,2′‐bipyridine)sulfatoplatinum(III)](Pt—Pt) bis(hexafluorophosphate) nitrate hexahydrate, (C3H10N3)[PtIII2(C3H8N3)2(SO4)2(C10H8N2)2]NO3·6H2O, (II), are reported. The oxidation of the Pt2II dimer into the Pt2III dimer results in a marked shortening of the Pt—Pt distance from 2.8512 (6) to 2.5656 (4) Å. The change is mainly compensated for by the change in the dihedral angle between the two Pt coordination planes upon oxidation, from 21.9 (2) to 16.9 (3)°. We attribute the relatively strong one‐dimensional stack of dimers achieved in the Pt2II compound in part to the strong PtII⋯C(bpy) associations (bpy is 2,2′‐bipyridine) in the crystal structure [Pt⋯C = 3.416 (10) and 3.361 (12) Å]. 相似文献
17.
Nikolay N. Sveshnikov Michael H. Dickman Michael T. Pope 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1193-1195
The title structure, [Rh2(C7H5O3)4(C2H6OS)2]·[Rh2(C4H7O2)4(C2H6OS)2]·2C2H6O, contains two discrete neutral Rh–Rh dimers cocrystallized as the ethanol disolvate. Each dimer is situated on an inversion center. The butyrate chain displays disorder in one C‐atom position. In each dimer, the dimethyl sulfoxide ligand (dmso) is bound via S, as expected. The ethanol is a hydrogen‐bond acceptor for one p‐hydroxybenzoate hydroxyl group and acts as a hydrogen‐bond donor to the dmso O atom of a neighboring p‐hydroxybenzoate dirhodium complex. A third hydrogen bond is formed from the other p‐hydroxybenzoate hydroxyl group to the dmso O atom of a butyrate–dirhodium complex. 相似文献
18.
Katarzyna
lepokura Tadeusz Lis Magorzata Bogucka Joanna Lutomska Adam Kraszewski Krzysztof Sierosawski 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o405-o409
The crystal structures of triethylammonium adenosine cyclic 2′,3′‐phosphate {systematic name: triethylammonium 4‐(6‐aminopurin‐9‐yl)‐6‐hydroxymethyl‐2‐oxido‐2‐oxoperhydrofurano[3,4‐c][1,3,2]dioxaphosphole}, Et3NH(2′,3′‐cAMP) or C6H16N+·C10H11N5O6P−, (I), and guanosine cyclic 2′,3′‐phosphate monohydrate {systematic name: triethylammonium 6‐hydroxymethyl‐2‐oxido‐2‐oxo‐4‐(6‐oxo‐1,6‐dihydropurin‐9‐yl)perhydrofurano[3,4‐c][1,3,2]dioxaphosphole monohydrate}, [Et3NH(2′,3′‐cGMP)]·H2O or C6H16N+·C10H11N5O7P−·H2O, (II), reveal different nucleobase orientations, viz. anti in (I) and syn in (II). These are stabilized by different inter‐ and intramolecular hydrogen bonds. The structures also exhibit different ribose ring puckering [4E in (I) and 3T2 in (II)] and slightly different 1,3,2‐dioxaphospholane ring conformations, viz. envelope in (I) and puckered in (II). Infinite ribbons of 2′,3′‐cAMP− and helical chains of 2′,3′‐cGMP− ions, both formed by O—H⋯O, N—H⋯X and C—H⋯X (X = O or N) hydrogen‐bond contacts, characterize (I) and (II), respectively. 相似文献
19.
Chengbing Ma Cheng Fan Changneng Chen Qiutian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m553-m555
In the title compound [systematic name: aqua(1,10‐phenanthroline‐κ2N,N′)(pyridine‐2,6‐dicarboxylato‐κ3O2,N,O6)manganese(II) monohydrate, [Mn(C7H3NO4)(C12H8N2)(H2O)]·H2O, the manganese(II) centre is surrounded by one bidentate phenanthroline ligand [Mn—N = 2.248 (3) and 2.278 (3) Å], one tridentate dipicolinate ligand [Mn—N = 2.179 (3) Å, and Mn—O = 2.237 (2) and 2.266 (2) Å] and one water molecule [Mn—O = 2.117 (3) Å], and it exhibits a strongly distorted octahedral geometry, with trans angles ranging from 144.12 (9) to 158.88 (11)°. Extensive intermolecular hydrogen‐bonding interactions involving coordinated and uncoordinated water molecules and the carboxyl O atoms of the dipicolinate ligand, as well as a stacking interaction involving the phenanthroline rings, are observed in the crystal structure. 相似文献
20.
Bernardo Masci Stefano Levi Mortera Maurizio Varrone Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o649-o651
Two compounds containing 1,3‐benzodioxin groups are reported, namely (±)‐6‐tert‐butyl‐8‐hydroxymethyl‐2‐phenyl‐4H‐1,3‐benzodioxin, C19H22O3, (I), and 2,2,2′,2′,6,6′‐hexamethyl‐8,8′‐methylenebis(4H‐1,3‐benzodioxin), C23H28O4, (II).The hydroxy groups of neighbouring molecules in (I) are hydrogen bonded to each other, giving rise to double‐row chains. The molecule in (II) adopts a `butterfly' conformation, with the O atoms in distal positions. In both compounds, the dioxin rings are in distorted half‐chair conformations. 相似文献