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1.
Jun Luo Xi‐Geng Zhou Lin‐Hong Weng Xiu‐Feng Hou 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m392-m395
Two new complexes, [Cu(C2N3)2(dien)] (dien is diethylenetriamine, C4H13N3), (I), and [Cu(C2N3)(trien)](C2N3) (trien is triethylenetetramine, C6H18N4), (II), have been characterized by single‐crystal X‐ray diffraction. Both complexes display a distorted tetragonal–pyramidal geometry. In (I), the Cu atom is coordinated in the basal plane by three diethylenetriamine N atoms [Cu—N = 2.000 (2), 2.004 (2) and 2.025 (2) Å] and one terminal N atom [Cu—N = 1.974 (2) Å] from one monodentate dicyanamide group, and in the apical position by one terminal N atom [Cu—N = 2.280 (2) Å] from the other monodentate dicyanamide group. In (II), the Cu atom is surrounded by four triethylenetetramine N atoms [Cu—N = 2.012 (2), 2.014 (2), 2.019 (2) and 2.031 (2) Å in the basal plane] and a terminal N atom [Cu—N = 2.130 (2) Å in the apical site] from one monodentate dicyanamide group. The other dicyanamide anion is not directly coordinated to the metal atom. In both (I) and (II), hydrogen‐bond interactions between the uncoordinated terminal N atoms of two dicyanamide ions and the amine H atoms lead to the formation of three‐dimensional networks. 相似文献
2.
Jun Luo Bao‐Shu Liu Xi‐Geng Zhou Lin‐Hong Weng Yan‐Rong Li Hui‐Xia Wu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m520-m522
Two new complexes, [Co(C2N3)2(C8H6N2)2], (I), and [Cu(C2N3)2(C8H6N2)2], (II), are reported. They are essentially isomorphous. Complex (I) displays distorted octahedral geometry, with the Co atom coordinated by four dicyanamide nitrile N atoms [Co—N = 2.098 (3) and 2.104 (3) Å] in the basal plane, along with two monodentate quinoxaline N atoms [Co—N = 2.257 (2) Å] in the apical positions. In complex (II), the Cu atom is surrounded by four dicyanamide nitrile N atoms [Cu—N = 2.003 (3) and 2.005 (3) Å] in the equatorial plane and two monodentate quinoxaline N atoms [Cu—N = 2.479 (3) Å] in the axial sites, to form a distorted tetragonal–bipyramidal geometry. The metal atoms reside on twofold axes of rotation. Neighbouring metal atoms are connected via double dicyanamide bridges to form one‐dimensional infinite chains. Adjacent chains are then linked by π–π stacking interactions of the quinoxaline molecules, resulting in the formation of a three‐dimensional structure. 相似文献
3.
Ivan Poto
k Milan Bur
k Christoph Wagner Lothar Jger 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m327-m329
The crystal structure of the title compound, [Cu(C2N3)2(C10H8N2)]n, is formed by neutral zigzag chains of the [–NC–N–CN–Cu{(bpy)N(CN)2}–NC–N–CN–] type running along the c axis (bpy is 2,2′‐bipyridine). The Cu atoms in the chains are pentacoordinated in the form of a distorted tetragonal pyramid, with a CuN5 chromophore. The coordination sites are occupied by two N atoms of one bpy molecule in the basal plane [Cu—N 2.018 (4) and 2.025 (2) Å] and by three terminal N atoms of two dicyanamide ligands. One of the dicyanamide ligands is coordinated in a monodentate fashion through a nitrile N atom in the basal plane [Cu—N 1.963 (4) Å]. The second acts as an end‐to‐end bridging ligand to a neighbouring Cu atom and is coordinated by one nitrile N atom in the basal plane [Cu—N 2.001 (2) Å], while the second nitrile N atom occupies the apical position [Cu—N 2.159 (2) Å] and originates from the bridge connecting another Cu atom. The shortest intrachain Cu?Cu distance is 8.212 (1) Å, as a consequence of the large bridging ligand, whereas the minimum interchain distance between Cu atoms is only 5.77 (7) Å, because of the interdigitation of the chains. 相似文献
4.
Huub Kooijman Anthony L. Spek Gerard A. van Albada Jan Reedijk 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m124-m126
In the crystal structure of the title compound, [Cu(C2N3)2(C12H12N2)]n, the CuII atom adopts a distorted square‐pyramidal geometry, the basal plane of which is formed by two N atoms of the bipyridine ligand, one N atom of a bidentate dicyanamide anion and one N atom of a monodentate dicyanamide anion [Cu—N = 1.9760 (15)–2.0157 (15) Å]. The apical position is occupied by an N atom of a bidentate dicyanamide anion, located 2.2468 (16) Å from the Cu atom, thus forming a one‐dimensional polymeric chain. 相似文献
5.
Ivan Poto
k Michal Dunaj‐Jur
o Duan Miklo Werner Massa Lothar Jger 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):363-365
In the title compound, [Cu(C2N3)(C10H8N2)2]BF4, the CuII atom shows distorted trigonal‐bipyramidal geometry, with the dicyanamido ligand in the equatorial plane. The two out‐of‐plane Cu—N bond lengths to bipyridine are 2.006 (3) and 1.998 (3) Å, whereas the in‐plane Cu—N distances are 2.142 (3) and 2.043 (3) Å to the bipyridine, and 2.015 (3) Å to the dicyanamide. 相似文献
6.
Huub Kooijman Anthony L. Spek Gerard A. van Albada Patrick Gamez Jan Reedijk 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m51-m54
In the crystal structure of [Cu(CF3SO3)(C2N3)(C8H7N5)2]·0.5C2H6O, the CuII atom adopts a distorted octahedral geometry, with the basal plane formed by two N atoms of one dipyrimidinylamine ligand, one N atom of the second pyrimidine ligand and a nitrile N atom of the dicyanamide anion [Cu—N = 1.972 (2)–2.021 (2) Å]. The apical positions are occupied by an N atom of the second ligand [Cu—N = 2.208 (2) Å], and an O atom of the trifluoromethanesulfonate anion [Cu—O = 2.747 (2) Å] at a semi‐coordination distance. Pairs of inversion‐related N—H⋯N hydrogen bonds of the so‐called Watson–Crick type, augmented by two C—H⋯N contacts, link adjacent complexes into an infinite one‐dimensional chain running in the [101] direction. 相似文献
7.
Ivan Poto
k Martin pilovský Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):m161-m163
The title compound, [Cu{N(CN)2}(C12H8N2)2]BF4, was prepared as part of our study of the shape of coordination polyhedra in five‐coordinated copper(II) complexes. Single‐crystal X‐ray analysis reveals that the structure consists of [Cu{N(CN)2}(phen)2]+ cations (phen is 1,10‐phenanthroline) and BF4− anions. The Cu centre is five‐coordinated in a distorted trigonal bipyramidal manner by four N atoms of two phen ligands and one N atom of a dicyanamide anion, which is coordinated in the equatorial plane at a distance of 1.996 (2) Å. The two axial Cu—Nphen distances have similar values [average 1.994 (6) Å] and are shorter than the two equatorial Cu—Nphen bonds [average 2.09 (6) Å]. This work demonstrates the effect of ligand rigidity on the shape of coordination polyhedra in five‐coordinated copper(II) complexes. 相似文献
8.
Ivan Poto
k Milan Bur
k Christoph Wagner Lothar Jger 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m252-m254
The title compound, [Cu(C2N3)(C12H8N2)2](CF3SO3), is formed by discrete [Cu(phen)2{N(CN)2)}]+ complex cations (phen is 1,10‐phenanthroline) and uncoordinated CF3SO3− anions. The Cu centre is five‐coordinated in the form of a distorted trigonal bipyramid to two phen molecules and one dicyanamide ligand, which is coordinated through one nitrile N atom in the equatorial plane at a distance of 1.990 (2) Å. The two axial Cu—N distances are similar (mean 1.993 Å) and are substantially shorter than the two equatorial Cu—N bonds (mean 2.125 Å). 相似文献
9.
Alexander J. Blake Vito Lippolis Tiziana Pivetta Gaetano Verani 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):m364-m367
In the first title salt, [Cu(C12H8N2)2(C5H10N2Se)](ClO4)2, the CuII centre occupies a distorted trigonal–bipyramidal environment defined by four N donors from two 1,10‐phenanthroline (phen) ligands and by the Se donor of a 1,3‐dimethylimidazolidine‐2‐selone ligand, with the equatorial plane defined by the Se and by two N donors from different phen ligands and the axial sites occupied by the two remaining N donors, one from each phen ligand. The Cu—N distances span the range 1.980 (10)–2.114 (11) Å and the Cu—Se distance is 2.491 (3) Å. Intermolecular π–π contacts between imidazolidine rings and the central rings of phen ligands generate chains of cations. In the second salt, [Cu(C10H8N2)2(C3H6N2S)](ClO4)2, the CuII centre occupies a similar distorted trigonal–bipyramidal environment comprising four N donors from two 2,2′‐bipyridyl (bipy) ligands and an S donor from an imidazolidine‐2‐thione ligand. The equatorial plane is defined by the S donor and two N donors from different bipy ligands. The Cu—N distances span the range 1.984 (6)–2.069 (7) Å and the Cu—S distance is 2.366 (3) Å. Intermolecular π–π contacts between imidazolidine and pyridyl rings form chains of cations. A major difference between the two structures is due to the presence in the second complex of two N—H...O hydrogen bonds linking the imidazolidine N—H hydrogen‐bond donors to perchlorate O‐atom acceptors. 相似文献
10.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m204-m206
In the polymeric title complex, [CuCl2(C3H6N4)2]n, there are two ligands in the asymmetric unit. The Cu atom adopts an elongated octahedral geometry, with two 2‐ethyltetrazole ligands [Cu—N = 2.0037 (16) and 2.0136 (16) Å] and two Cl atoms [Cu—Cl = 2.2595 (6) and 2.2796 (6) Å] in equatorial positions. A Cl atom and a symmetry‐related 2‐ethyltetrazole molecule [Cu—Cl = 2.8845 (8) Å and Cu—N = 2.851 (2) Å] lie in the axial positions of the octahedron. One of the two 2‐ethyltetrazole ligands of the asymmetric unit exhibits bidentate binding to two Cu atoms through two N atoms of the tetrazole ring, whereas the other ligand is coordinated in a monodentate fashion via one tetrazole N atom. The Cu‐atom octahedra form dimer entities by sharing edges with equatorial and axial Cl atoms. The dimers are linked together through the 2‐ethyltetrazole ligands to form one‐dimensional polymeric zigzag chains extending along the b axis. The chains are connected into infinite layers parallel to the (10) plane via the 2‐ethyltetrazole ligands. 相似文献
11.
Aarne Pajunen Fernando Cmara Jose M. Dominques‐Vera Enrique Colacio 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e49-e50
In the title compound, [Cu(C10H18N5)(CH4O)]ClO4, four N atoms from the deprotonated ligand derived from bis(3‐aminopropyl)amine and 2‐imidazolecarboxaldehyde are coordinated to the Cu atom. The four N atoms occupy equatorial positions with Cu—N bond distances ranging from 1.998 (2) to 2.046 (3) Å. The methanol O atom occupies one axial position with a Cu—O bond distance of 2.295 (2) Å. 相似文献
12.
Zhe‐Ming Wang Jun Luo Bai‐Wang Sun Chun‐Hua Yan Chun‐Sheng Liao Song Gao 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e242-e244
The title compounds are isomorphous, comprised of neutral monomeric [M(phen)2(dca)2] [(I): M = Mn, (II): M = Zn; phen is 1,10‐phenanthroline, C12H8N2; dca is dicyanamide, C2N3] molecules. In the molecule, the divalent metal ion is in a distorted octahedral coordination environment formed by six N atoms from the phen and dca ligands. The Mn—N [2.144 (2)–2.319 (2) Å] and Zn—N [2.075 (2)–2.245 (2) Å] distances are in agreement with the difference in size of the two divalent ions. 相似文献
13.
Zhe‐Ming Wang Jun Luo Bai‐Wang Sun Chun‐Hua Yan Song Gao Chun‐Sheng Liao 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):786-788
The title compound, [Cu(C2N3)2(C12H8N2)]n, has a sheet‐like structure, built by [Cu(phen)(dca)2]n (phen is 1,10‐phenanthroline and dca is dicyanamide) chains which are interconnected by secondary long Cu—N bonds between the chains. The Cu2+ ion is in a distorted tetragonal bipyramidal (5 + 1) coordination environment. The sheets stack into the three‐dimensional crystal structure through aromatic interactions between the coordinated phen ligands of adjacent sheets. 相似文献
14.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m399-m401
In the title molecular complex, [Cu4Cl6O(2‐EtTz)4], where 2‐EtTz is 2‐ethyltetrazole (C3H6N4), the central O atom is located on the symmetry site and is tetrahedrally coordinated to four Cu atoms, with Cu—O distances of 1.8966 (4) Å. A very slight distortion of Cu4O from a regular tetrahedron is observed [two Cu—O—Cu angles are 108.76 (3)° and four others are 109.828 (13)°]. Each Cu atom is connected to three others via the Cl atoms, forming a slightly distorted Cl octahedron around the O atom, with O⋯Cl distances of 2.9265 (7) Å for Cl atoms lying on the twofold axis and 2.9441 (13) Å for those in general positions. The Cu atom has a distorted trigonal–bipyramidal environment, with three Cl atoms in the equatorial plane, and with the N atom of the 2‐ethyltetrazole ligand and the μ4‐O atom in axial positions. The Cu atom is displaced out of the equatorial plane by ca 0.91 Å towards the coordinated N atom of the 2‐ethyltetrazole ligand. 相似文献
15.
Yun‐Ling Gao Xiao‐Jun Peng Shi‐Guo Sun Chang‐Neng Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m13-m15
The novel μ‐oxo‐diiron complex [Fe2O(BPHPA)2](ClO4)4 [BPHPA is (6‐hydroxymethyl‐2‐pyridylmethyl)bis(2‐pyridylmethyl)amine, C19H20N4O], contains a binuclear centrosymmetric [Fe2O(BPHPA)2]4+ cation (the bridging O atom lies on an inversion centre) and four perchlorate anions. Each iron ion is coordinated by four N atoms [Fe—N = 2.117 (5)–2.196 (5) Å] and one O atom [Fe—O = 2.052 (5) Å] from a BPHPA ligand, and by one bridging oxo atom [Fe—O = 1.7896 (9) Å], forming a distorted octahedron. There are hydrogen bonds between the hydroxy group and perchlorate O atoms [O—H·O = 2.654 (7) Å]. 相似文献
16.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m558-m560
In the crystal structure of the title compound, [N,N′‐bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trithionato(2−)‐κ2N,S]zinc(II) ethanol solvate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octahedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐aminopropyl)ethylenediamine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a trithiocyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds. 相似文献
17.
Ahmet Bulut brahim Uar Okan Zafer Yeilel Hasan budak Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m526-m528
The title mononuclear [Cu(sq)(phen)2]·3H2O complex [sq is squarate (C4O4) and phen is 1,10‐phenanthroline (C12H8N2)] has been synthesized and the structure consists of a neutral mononuclear [Cu(sq)(phen)2] unit and three solvate water molecules. The CuII ion has distorted square‐pyramidal coordination geometry, comprised of one carboxylate O atom from a monodentate squarate ligand and four N atoms from two chelating phen ligands. An extensive three‐dimensional network of OW—H⋯O/OW hydrogen bonds, face‐to‐face π–π interactions between the 1,10‐phenanthroline aromatic rings and a weak π–ring interaction are responsible for crystal stabilization. 相似文献
18.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Vadim E. Matulis Vitaly E. Matulis Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):m90-m92
In the crystal structure of the title compound, [Cu3Cl6(C4H6N4)4]n, there are three Cu atoms, six Cl atoms and four 2‐allyltetrazole ligands in the asymmetric unit. The polyhedron of one Cu atom adopts a flattened octahedral geometry, with two 2‐allyltetrazole ligands in the axial positions [Cu—N4 = 1.990 (2) and 1.991 (2) Å] and four Cl atoms in the equatorial positions [Cu—Cl = 2.4331 (9)–2.5426 (9) Å]. The polyhedra of the other two Cu atoms have a square‐pyramidal geometry, with three basal sites occupied by Cl atoms [Cu—Cl = 2.2487 (9)–2.3163 (8) and 2.2569 (9)–2.3034 (9) Å] and one basal site occupied by a 2‐allyltetrazole ligand [Cu—N4 = 2.028 (2) and 2.013 (2) Å]. A Cl atom lies in the apical position of either pyramid [Cu—Cl = 2.8360 (10) and 2.8046 (9) Å]. The possibility of including the tetrazole N3 atoms in the coordination sphere of the two Cu atoms is discussed. Neighbouring copper polyhedra share their edges with Cl atoms to form one‐dimensional polymeric chains running along the a axis. 相似文献
19.
Milan Bur
k Ivan Poto
k Werner Massa Lothar Jger 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m353-m355
The title compound, [Cu(C2N3)(C3H10N2)2]ClO4, is made up of [Cu(tn)2{N(CN)2}]+ complex cations (tn is 1,3‐diaminopropane) and ClO4− anions. The CuII atom is coordinated by four N atoms of two equatorial tn ligands, with an average distance of 2.041 (7) Å, and one nitrile N atom of the dicyanamide anion in an axial position, at a distance of 2.236 (3) Å, in a manner approaching square‐planar coordination geometry. The complex has Cs symmetry, with the mirror plane lying through the central C atoms of both tn ligands and the dca ligand. The ClO4− anion might be considered as very weakly coordinated in the opposite axial position [Cu—O = 2.705 (3) Å], thus completing the CuII coordination to asymmetric elongated octahedral (4+1+1*). The Cu atom and the perchlorate anion both lie on mirror planes. 相似文献
20.
Ligia Gomes John Nicolson Low Mrio A. D. C. Valente Cristina Freire Baltazar Castro 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):m293-m296
The title complex, [Cu(C12H9N2O)(C2H3O2)(C12H10N2O)], is a neutral CuII complex with a primary N3O2 coordination sphere. The Cu centre coordinates to both a deprotonated and a neutral molecule of N‐phenylpyridine‐2‐carboxamide and also to an acetate anion. The coordination around the metal centre is asymmetric, the deprotonated ligand providing two N donor atoms [Cu—N = 1.995 (2) and 2.013 (2) Å] and the neutral ligand providing one N and one O donor atom to the coordination environment [Cu—N = 2.042 (2) Å and Cu—O = 2.2557 (19) Å], the fifth donor being an O atom of the acetate ion [Cu—O = 1.9534 (19) Å]. The remaining O atom from the acetate ion can be considered as a weak donor atom [Cu—O = 2.789 (2) Å], conferring to the Cu complex an asymmetric octahedral geometry. The crystal structure is stabilized by intermolecular N—H...O, C—H...O and C—H...π interactions. 相似文献