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1.
Cheng‐Bing Ma Chang‐Neng Chen Qiu‐Tian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(10):m469-m472
In the title compound, [Mn(C7H3NO4)(C3H4N2)(C12H8N2)(H2O)], the MnII centre is surrounded by one bidentate phenanthroline ligand [Mn—N = 2.383 (3) and 2.421 (3) Å], one tridentate dipicolinate ligand [Mn—N = 2.300 (3) Å, and Mn—O = 2.300 (2) and 2.357 (2) Å], one monodentate imidazole ligand [Mn—N = 2.238 (3) Å] and one water molecule [Mn—O = 2.157 (3) Å]. It displays a distorted pentagonal‐bipyramidal geometry, with neighbouring angles within the equatorial plane ranging from 68.05 (9) to 77.48 (10)°. Intermolecular O—H...O hydrogen bonds link the molecules into infinite chains. The chains are crosslinked by hydrogen bonds involving the carboxyl O atoms of the dipicolinate ligand and the protonated imidazole N atom, leading to an infinite two‐dimensional network sheet packing mode. The complete solid‐state structure can be described as a three‐dimensional supramolecular framework, stabilized by these intermolecular hydrogen‐bonding interactions and π–π stacking interactions involving the phenanthroline rings. 相似文献
2.
Zora Popovi
eljka Soldin Gordana Pavlovi 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m272-m274
The title compound, [Hg(C6H4NO2)I(C6H5NO2)], has twofold symmetry along the Hg—I bond. The HgII ion coordinates one I atom [at 2.6045 (4) Å], two N and two O atoms [at 2.298 (3) and 2.481 (2) Å] from one picolinate ion, and one picolinic acid molecule in a very irregular trigonal–bipyramidal coordination. The single hydroxy H atom required for chemical neutrality is both statistically (by crystal symmetry) and structurally disordered, and is involved in an intermolecular O—H⋯O hydrogen bond [O⋯O = 2.455 (4) Å], connecting the molecules into one‐dimensional infinite chains along the [101] direction. 相似文献
3.
Jiao‐Jiao He Wen‐Xiang Chai Li Song Feng Niu Xiao‐Bin Fang 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(8):m206-m208
In the noncentrosymmetric title compound, [Cu(C4H5NO4)(C6H12N4)(H2O)] or [Cu(IDA)(HMTA)(H2O)], where IDA is iminodiacetate and HMTA is hexamethylenetetramine, the asymmetric unit consists of a whole mononuclear neutral molecule, where the CuII cation is coordinated by two carboxylate O atoms and one N atom from the IDA ligand, by one N atom from the HMTA ligand and by the O atom of the coordinated water molecule, giving rise to a CuN2O3 distorted square‐pyramidal coordination geometry. The IDA and HTMA ligands adopt terminal tri‐ and monocoordinated modes, respectively. All adjacent molecules within the ac plane are connected to each other via two pairs of O—H...O and one N—H...O hydrogen bond, forming a (4,4) supramolecular two‐dimensional network. In the unit cell, these layers stack alternately in an …ABABAB… sequence along the b axis. The optical absorption properties of this compound have been studied on powder samples, which had previously been examined by powder X‐ray diffraction. 相似文献
4.
brahim Uar Ahmet Bulut Okan Zafer Yeilel Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m563-m566
The title mononuclear complex, [Ni(C5H2N2O4)(C3H4N2)2(H2O)2] or [Ni(HOr)(im)2(H2O)2] (im is imidazole and H3Or is orotic acid, or 2,6‐dioxo‐1,2,3,6‐tetrahydropyrimidine‐4‐carboxylic acid), has been synthesized and the crystal structure determination is reported. The NiII ion in the complex has a distorted octahedral coordination geometry comprised of one deprotonated pyrimidine N atom and the adjacent carboxylate O atom of the orotate ligand, two tertiary imidazole N atoms and two aqua ligands. An extensive three‐dimensional network of OW—H⋯O and N—H⋯O hydrogen bonds, and π–π and π–ring interactions are responsible for crystal stabilization. 相似文献
5.
Li Li Miao‐Li Zhu Li‐Ping Lu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m227-m228
In the title compound, [Cu(C4H6N2O3)(C8H8N2)]·3H2O, the CuII atom is coordinated in a square‐planar manner by one O atom and three N atoms from glycylglycinate and 2‐methylbenzimidazole ligands. The ternary complexes assemble into one‐dimensional chains through C—H⋯π interactions and direct N—H⋯O hydrogen bonding, as well as into hydrogen‐bonded water helices with branches which also link the complex chains into a three‐dimensional supramolecular structure. 相似文献
6.
Ana María Atria Gino Corsini Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(11):m342-m345
In the title polymeric compound, [Cu(C9H6O4)(C3H4N2)2]n, the copper(II) cation occupies an N2O3 coordination sphere defined by two 1H‐imidazole (imid) ligands in trans positions and three carboxylate O atoms from three different 2‐(carboxylatomethyl)benzoate (hpt2−) dianions. The geometry is that of a square pyramid with one of the O atoms at the apex, bridging neighbouring metal centres into an [–ON2CuO2CuN2O–] dinuclear unit. These units are in turn connected by hpt anions into a reticular mesh topologically characterized by two types of loops, viz. a four‐membered Cu2O2 diamond motif and a 32‐membered Cu4O8C20 ring. The imid groups do not take part in the formation of the two‐dimensional structure, but take part in the N—H...O interactions. These arise only within individual planes, interplanar interactions being only of the van der Waals type. 相似文献
7.
Jian‐Hai Luo Chang‐Cang Huang Xi‐He Huang Jin‐Gen Wang 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):m121-m122
The title compound, [Cu2Fe3(C5H5)3(C2H3O2)(C6H4O2)3(C3H7NO)2], belongs to the classic dimeric paddle‐wheel structure type. It is an unusual example in that it contains two different carboxylate groups, viz. ferrocenecarboxylate and acetate. With three ferrocenecarboxylate groups and only one acetate group bridging the two Cu centres, a noncentrosymmetric molecular arrangement results. 相似文献
8.
Yanko Moreno Yimmy Salgado María Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m487-m489
In the title monomer, [Cu(NO3)2(C18H12N2)], the six‐coordinated CuII atom lies on a twofold axis which bisects one of the ligands (a chelating biquinoline) and duplicates the remaining ligand, a chelating nitrate. The latter binds in a very asymmetric way, consistent with a Jahn–Teller distortion in the coordination polyhedron which, due to the triple chelation, is extremely distorted and difficult to describe in terms of any regular model. 相似文献
9.
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
10.
Ziliang Wang Linheng Wei 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(12):m481-m484
The title two‐dimensional hydrogen‐bonded coordination compounds, [Cu(C8H5O4)2(C4H6N2)2], (I), and [Cu(C8H7O2)2(C4H6N2)2]·H2O, (II), have been synthesized and structurally characterized. The molecule of complex (I) lies across an inversion centre, and the Cu2+ ion is coordinated by two N atoms from two 4‐methyl‐1H‐imidazole (4‐MeIM) molecules and two O atoms from two 3‐carboxybenzoate (HBDC−) anions in a square‐planar geometry. Adjacent molecules are linked through intermolecular N—H...O and O—H...O hydrogen bonds into a two‐dimensional sheet with (4,4) topology. In the asymmetric part of the unit cell of (II) there are two symmetry‐independent molecules, in which each Cu2+ ion is also coordinated by two N atoms from two 4‐MeIM molecules and two O atoms from two 3‐methylbenzoate (3‐MeBC−) anions in a square‐planar coordination. Two neutral complex molecules are held together via N—H...O(carboxylate) hydrogen bonds to generate a dimeric pair, which is further linked via discrete water molecules into a two‐dimensional network with the Schläfli symbol (43)2(46,66,83). In both compounds, as well as the strong intermolecular hydrogen bonds, π–π interactions also stabilize the crystal stacking. 相似文献
11.
Zakieh Yousefi Hossein Eshtiagh‐Hosseini Alireza Salimi Janet Soleimannejad 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(5):386-393
In the title compound, [Cu(C7H3N2O4)(C4H5N2)(H2O)], (I), pyridine‐2,6‐dicarboxylate (pydc2−), 2‐aminopyrimidine and aqua ligands coordinate the CuII centre through two N atoms, two carboxylate O atoms and one water O atom, respectively, to give a nominally distorted square‐pyramidal coordination geometry, a common arrangement for copper complexes containing the pydc2− ligand. Because of the presence of Cu...Xbridged contacts (X = N or O) between adjacent molecules in the crystal structures of (I) and three analogous previously reported compounds, and the corresponding uncertainty about the effective coordination number of the CuII centre, density functional theory (DFT) calculations were used to elucidate the degree of covalency in these contacts. The calculated Wiberg and Mayer bond‐order indices reveal that the Cu...O contact can be considered as a coordination bond, whereas the amine group forming a Cu...N contact is not an effective participant in the coordination environment. 相似文献
12.
Myeong‐Jin Oh Hee‐Jin Kim Sung Kwon Kang Sung‐Nak Choi Yong‐Min Lee 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):m153-m155
The solvent effect on the molecular structures of copper(II) complexes produced from the reaction between CuBr2 and 1,10‐phenanthroline is evident. The momomeric title compound, [CuBr2(C12H8N2)(C2H6OS)], which consists of discrete units, is produced from this reaction in dimethyl sulfoxide (DMSO), whereas a polymeric copper(II) compound is known to be produced from the same reaction in the poor coordinating solvent ethanol. The geometry around the copper(II) ion in the title compound is best described as trigonal–bipyramidal distorted square‐based pyramidal, with a τ value of 0.37. The two phenanthroline N atoms, the DMSO O atom and one of the Br atoms occupy the four basal positions, while the second Br atom occupies the axial position. The magnetic susceptibility data also indicate that the title compound is monomeric, but there is still a weak antiferromagnetic interaction between paramagnetic copper(II) centers via the intermolecular `Cu—Br...Br—Cu' contact pathway. 相似文献
13.
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
14.
Fen Sun Yan‐Tuan Li Zhi‐Yong Wu Yu‐Lan Song Man Jiang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m584-m586
The structure of the title compound, [Cu2(C12H24N4O2)(C3H4N2)2(CH4O)2](ClO4)2 or [Cu2(dmoxpn)(HIm)2(CH3OH)2](ClO4)2, where dmoxpn is the dianion of N,N′‐bis[3‐(dimethylamino)propyl]oxamide and HIm is imidazole, consists of a centrosymmetric trans‐oxamidate‐bridged copper(II) binuclear cation, having an inversion centre at the mid‐point of the central C—C bond, and two perchlorate anions. The CuII atom has square‐pyramidal coordination geometry involving two N atoms and an O atom from the dmoxpn ligand, an N atom from an imidazole ring, and an O atom from a methanol molecule. The crystal structure is stabilized by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds and imidazole π–π stacking interactions to form a three‐dimensional supramolecular array. 相似文献
15.
Thidarat Chotkhun Sujittra Youngme Narongsak Chaichit 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m59-m61
In the title dinuclear acetate‐bridged complex, [Cu2(C2H3O2)3(NCS)(C10H9N3)2], the two Cu atoms are five‐coordinated, with a basal plane consisting of two N atoms of a di‐2‐pyridylamine (dpyam) ligand and two O atoms of two different acetate ligands. The axial positions of these Cu atoms are coordinated to N and O atoms from thiocyanate and acetate molecules, respectively, leading to a distorted square‐pyramidal geometry with τ values of 0.30 and 0.22. Both CuII ions are linked by an acetate group in the equatorial–equatorial positions and have syn–anti bridging configurations. Hydrogen‐bond interactions between the amine H atom and the coordinated and uncoordinated O atoms of the acetate anions generate an infinite one‐dimensional chain. 相似文献
16.
Ralph A. Zehnder Robert A. Renn Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(10):m307-m310
The title compound, [Yb(C2H3O2)(OH)2]·0.5H2O, was obtained via hydrothermal reaction of Yb(CH3COO)3·H2O with NaOH at 443 K. The compound forms two‐dimensional layers with six crystallographically independent YbIII atoms. Four of these form YbO8 coordination polyhedra, while the coordination number of the remaining two YbIII atoms is 7. Five of these coordination polyhedra are interconnected mainly via hydroxide groups, as they build a narrow inner layer that extends infinitely within the ab plane. The sixth YbIII atom resides outside this inner layer and builds a terminal YbO8 coordination polyhedron on the layer surface. Its coordination environment comprises four carboxylate O atoms belonging to three different acetate entities, three hydroxide groups and one water molecule. Adjacent layers experience weak interactions via hydrogen bonds. The Yb—O distances lie in the range 2.232 (4)–2.613 (5) Å. 相似文献
17.
Hong Li Kai‐Liang Yin Duan‐Jun Xu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m19-m21
The title compound, [Cu(C7H5O3)2(C7H6N2)2]n, is a one‐dimensional polymeric complex bridged by salicylate anions. The CuII atom is surrounded by three salicylate and two benzimidazole ligands, with a tetragonally elongated octahedral coordination geometry. The Cu—O bond distances in the axial directions are 2.6092 (16) and 2.6834 (17) Å. π–π stacking interactions exist between the benzimidazole rings of neighboring polymeric complex chains. 相似文献
18.
Abdurrahman engül Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m119-m121
In the title compound, [Cu(C6H4NO3)2(H2O)2], the CuII ion lies on an inversion centre and has an elongated octahedral environment, equatorially trans‐coordinated by two N,O‐bidentate picolinate ligands and axially coordinated by two water O atoms. The complex molecules form layers, which are linked by O—H⋯O hydrogen bonds between the aqua ligands and neighbouring carboxylate groups. An intramolecular hydrogen bond between the coordinated carboxylate O atom and the hydroxy H atom is also observed. 相似文献
19.
Mireille Perec Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(11):m339-m342
In the monomeric title compound, [Cu(C4H4O5)(C6H6N2O)(H2O)]·1.5H2O, the CuII cation is bound in a square‐pyramidal coordination to a tridentate oxydiacetate (ODA) ligand, a monodentate pyridine‐3‐carboxamide (p3ca) ligand and one aqua ligand, where the two organic ligands form the basal plane and the water O atom occupies the unique apical site. The ODA ligand presents a slight out‐of‐plane puckering in its central ether O atom, while the p3ca ligand is essentially planar. The availability of efficient donors and acceptors for hydrogen bonding results in the formation of strongly linked hydrogen‐bonded bilayers parallel to (101), with an interplanar distance of 3.18 (1) Å and a stacking separation between the bilayers of 3.10 (1) Å, both of them governed by extended π–π interactions. The disordered nature of the solvent water molecules around inversion centres is discussed. The monoaqua compound is compared with the octahedral diaqua analogue, [Cu(C4H4O5)(C6H6N2O)(H2O)2], reported recently [Perec & Baggio (2009). Acta Cryst. C 65 , m296–m298]. 相似文献
20.
Mireille Perec Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(8):m296-m298
In the mononuclear title compound, [Cu(C4H4O5)(C6H6N2O)(H2O)2], the CuII centre is bound to a chelating oxydiacetate ligand, a monodentate pyridine‐3‐carboxamide unit and two water molecules, defining an octahedral coordination where the first two ligands form the equatorial plane and the last two occupy the apical sites. The planar oxydiacetate ligand is slightly disordered at its central ether O atom. The availability of efficient donors and acceptors for hydrogen bonding results in a complex interaction scheme where each monomer links to six similar units to define a well connected three‐dimensional structure. A comparison is made with related structures in the literature, and the reasons for their differences are discussed. 相似文献