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1.
Guang‐Fei Liu Lin‐Lin Li Yong Zhang Jian‐Ping Lang Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):m1-m3
The title compound, [Cu(ClO4)2(C4H9N3O2)2][Cu(C4H9N3O2)2(CH4O)2](ClO4)2·2CH3OH, comprises two independent CuII species lying on different inversion sites. In the Cu complexes, a distorted octahedral geometry arises (from basic square‐planar N4 coordination) from the weak coordination of two perchlorate ions (as Cu—O) in one species and two methanol molecules in the other (also as Cu—O). Interactions between the O atoms of the perchlorate anions or methanol groups and the imide or amine NH groups afford an extensive intermolecular hydrogen‐bonding network. 相似文献
2.
Mrcia R. Siqueira Liange de Oliveira Diehl Robert A. Burrow 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m67-m69
In the centrosymmetric title compound, [Co2(C12H10O2P)4(C5H5N)4(H2O)2], each approximately octahedral Co atom features two trans‐coordinated pyridine molecules, one water molecule, a terminally coordinated monodentate diphenylphosphinate ligand, and two bidentate diphenylphosphinate ligands that bridge the two Co atoms across a centre of inversion to form a dimeric binuclear complex. The discrete molecules are linked by double hydrogen bonds between the terminally coordinated diphenylphosphinate ligand and the water molecule to form a continuous chain along the crystallographic b axis. 相似文献
3.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m401-m403
In the crystal structure of the title compound {systematic name: bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]bis(3‐methylpyridine)copper(II)}, [Cu(C4H4NO4S)2(C6H7N)2], the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and because of the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two methylpyridine ligands and by the more basic O atoms of the acesulfamate ligands, while the weakly basic N atoms of these ligands are in elongated axial positions with a misdirected valence. The crystal is stabilized by two intermolecular C—H⋯O interactions involving the methyl and CH groups, and the sulfonyl O atoms of the acesulfamate group. 相似文献
4.
Ahmet Bulut Hasan budak Gzde Sezer Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m228-m230
In the crystal structure of the title compound, bis(2‐aminopyrimidine‐κN1)bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]copper(II), [Cu(C4H4NO4S)2(C4H5N3)2], the first mixed‐ligand complex of acesulfame, the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and by the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two aminopyrimidine (ampym) ligands and by the weakly basic carbonyl O atoms of the acesulfamate ligands, while the more basic deprotonated N atoms of these ligands are in the elongated axial positions with a strong misdirected valence. The crystal is stabilized by pyrimidine ring stacking and by intermolecular hydrogen bonding involving the NH2 moiety of the ampym ligand and the carbonyl O atom of the acesulfamate moiety. 相似文献
5.
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
6.
Valiollah Mirkhani Reza Kia Sybolt Harkema 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m343-m344
The 1:1 adduct of N,N′‐bis(diphenylmethylene)ethylenediamine (bz2en) with copper(I) chloride, viz. [Cu(C28H24N2)2][CuCl2], has been synthesized. The structure contains cationic moieties of CuI ions (Cu on a twofold axis) coordinated to four N atoms of two bz2en molecules (in a distorted tetrahedron) and linear dichlorocuprate(I) anions (with Cu on an inversion centre). These cations and anions are packed in columns along b. The packing of the cation and anion columns involves a significant C—H⋯Cl interaction and four short intermolecular C—H⋯π contacts, two of which are between cation columns. 相似文献
7.
Yang Kim Brian W. Skelton Allan H. White 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m546-m548
In title anhydrous catena‐poly[[trans‐bis(ethane‐1,2‐diamine‐κ2N,N′)copper(II)]‐μ‐dithionato‐κ2O:O′], [Cu(S2O6)(C2H8N2)2]n or [{H2N(CH2)2NH2}2Cu(O·O2SSO2·O)]∞, successive Cu atoms are bridged by a single doubly charged dithionate group, forming a one‐dimensional polymer with inversion centres at the metal atoms and the mid‐point of the S—S bond [Cu—O = 2.5744 (15) Å]. In title (hydrated) trans‐diaquabis(propane‐1,3‐diamine‐κ2N,N′)copper(II) dithionate, [Cu(C3H10N2)2(H2O)2](S2O6) or [{H2N(CH2)3NH2}2Cu(OH2)2](S2O6), both ions have imposed 2/m symmetry. The `axial' anion components are displaced by a pair of water ligands [Cu—O = 2.439 (3) Å], the shorter Cu—O distance being compensated by the lengthened Cu—N distance [2.0443 (18), cf. 2.0100 (13) and 2.0122 (16) Å]. 相似文献
8.
Allison M. Mills Kristel Flinzner Arno F. Stassen Jaap G. Haasnoot Anthony L. Spek 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m243-m245
In the title complex, [Cu(BF4)2(1tpc)4] [1tpc is 1‐(3‐chloropropyl)‐1,2,4‐triazole, C5H8ClN3], the copper(II) centres reside in a tetragonally distorted octahedral coordination environment. Four 1tpc ligands are coordinated to the metal atom via the N4 atom of the triazole rings in a square‐planar arrangement, with Cu—N bond lengths in the range 2.002 (2)–2.019 (2) Å. Two tetrafluoroborate anions, in the axial positions above and below the square plane, are weakly coordinated to the copper(II) centre, with Cu—F distances of 2.4009 (18) and 2.5096 (18) Å. 相似文献
9.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):m13-m15
In the crystal structure of the title compound [systematic name: diaquabis(6‐methyl‐2,2‐dioxo‐1,2,3‐oxathiazin‐4‐olato‐κO4)bis(3‐methylpyridine‐κN)nickel(II)], [Ni(C4H4NO4S)2(C6H7N)2(H2O)2], the NiII centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans‐oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octahedron are occupied by two N atoms of two trans pyridine ligands. Molecules are stacked in columns running along the a axis. There are π–π stacking interactions between the molecules in each column, with a distance of 3.623 (2) Å between the centroids of the pyridine rings. There are also O—H⋯O interactions between the columns. 相似文献
10.
Ahmet Karadag Ahmet Bulut Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m402-m404
The crystal structure of the title compound, [Ni(NCS)2(C4H12N2O)2], has two crystallographically independent half‐molecules in the asymmetric unit, with each Ni atom residing on a centre of symmetry. The two molecules exhibit similar coordination geometry but display differences with regard to other structural features. Each NiII centre is octahedrally coordinated by two mutually trans chelating hydroxyethylethylenediamine ligands and two mutually trans isothiocyanate ions. The two independent molecules form chains through different types of non‐covalent interactions. In the case of one of the molecules, only NCS and free OH groups participate in hydrogen bonding, while in the chain based on the second molecule, the NCS, NH, NH2 and free OH groups are involved in intermolecular hydrogen bonding. The two chains interact with one another through hydrogen bonding, forming planar sheets. The third packing direction is mediated only by van der Waals interactions. 相似文献
11.
Michael Yen‐Nan Chiang Jing‐Yun Wu Wen‐Feng Zeng Duan‐Jun Xu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m523-m525
The solid‐state structure of the first reported homoleptic copper di‐2‐pyridylphosphinate complex shows an extremely large `z‐out' tetragonal distortion, with an axial Cu⋯O distance of 2.430 (2) Å. The title complex, [Cu(C10H8N2O2P)2]·2CH2Cl2 or Cu[py2P(O)O]2·2CH2Cl2, comprises two di‐2‐pyridylphosphinate ligands coordinated to the central copper(II) ion, which sits on an inversion center. The pyridyl rings of one ligand are trans to the pyridyl rings of their symmetry‐related counterpart. The two trans py–Cu–py moieties are coplanar, as required by the inversion symmetry. A disordered dichloromethane solvent molecule is cocrystallized in the asymmetric unit cell. 相似文献
12.
Christian Tessier Fernande D. Rochon 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m620-m622
In the square‐planar title complex, [PtI2(C7H7NO)2], the Pt atom lies on a crystallographic inversion center, coinciding with an anti arrangement of the 3‐acetylpyridine ligands. The dihedral angles between the pyridine rings and the Pt coordination plane are 67.5 (2)°, while those between the pyridine rings and the acetyl planes are 20.8 (5)°. The 195Pt NMR resonance of the title complex (CD2Cl2) was observed at −3224 p.p.m. The major structural parameters are compared with those from previously reported related structures. 相似文献
13.
Anna M. M. Meij Stefanus Otto Andreas Roodt 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m352-m354
The crystal structure of the title compound, trans‐[Pd(NCS)2(C6H13N3P)2](NCS)2, is one of the few palladium(II) complexes containing two protonated water‐soluble 1,3,5‐triaza‐7‐phosphaadamantane (PTA) ligands reported to date. The compound displays a distorted square‐planar geometry, with the Pd atom on an inversion centre and with the S atoms of the thiocyanate counter‐ions occupying the axial positions above and below the equatorial plane described by the phosphine and thiocyanate ligands. Geometric parameters for the formal coordination polyhedron include a Pd—P distance of 2.2940 (8) Å, a Pd—S distance of 2.3509 (8) Å and a P—Pd—S angle of 89.45 (3)°. The effective cone angle for the PTA ligands was calculated as 114.5°. 相似文献
14.
Douglas M. Ho Michael E. Berardini Georgia M. Arvanitis 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(10):m391-m394
The complex trans‐bis(hinokitiolato)copper(II) [systematic name: trans‐bis(3‐isopropyl‐7‐oxocyclohepta‐1,3,5‐trienolato)copper(II); abbreviated name: trans‐Cu(hino)2], [Cu(C10H11O2)2], is a biologically active compound. Three polymorphs of this square‐planar monomer, all with (+sp,−sp) isopropyl substituents, have been reported previously. A fourth polymorph containing (+ac,−ac) isopropyl groups and its chloroform disolvate, [Cu(C10H11O2)2]·2CHCl3, both exhibiting nonmerohedral twinning and with all Cu atoms on centers of crystallographic inversion symmetry, are reported here. One of the differences between all of these polymorphs is the relative conformation of the isopropyl groups with respect to the plane of the molecule. Stacking and Cu...olefin π distances ranging from 3.214 (4) to 3.311 (2) Å are observed, and the chloroform solvent molecules participate in bifurcated C—H...O hydrogen bonds [H...O = 2.26–2.40 Å, C...O = 3.123 (5)–3.214 (5) Å, C—H...O = 127–151° and O...H...O = 74°]. 相似文献
15.
[N′‐Benzoyl‐N,N‐bis(2‐pyridylmethyl‐κN)ethylenediamine‐κN]chlorocopper(II) hexafluorophosphate
Yoshiyuki Kani Shigeru Ohba Yuzo Nishida 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):e196-e196
The title mononuclear copper(II) complex, [CuCl(C21H22N4O)]PF6, shows a distorted square‐planar coordination and the benzoylamino N atom does not coordinate to the Cu atom. 相似文献
16.
Manfredo Hrner Lorenzo do C. Visentin Marisa Dahmer Jairo Bordinhao 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m286-m287
In the title complex, [Pd(C12H8FN4O2)2(C5H5N)2] or trans‐[Pd(FC6H4N=N—NC6H4NO2)(C5H5N)2], the Pd atom lies on a centre of inversion in space group P. The coordination geometry about the Pd2+ ion is square planar, with two deprotonated 3‐(2‐fluorophenyl)‐1‐(4‐nitrophenyl)triazenide ions, FC6H4N=N—NC6H4NO2?, acting as monodentate ligands (two‐electron donors), while two neutral pyridine molecules complete the metal coordination sphere. The whole triazenide ligand is not planar, with the largest interplanar angle being 16.8 (5)° between the phenyl ring of the 2‐fluorophenyl group and the plane defined by the N=N—N moiety. The Pd—N(triazenide) and Pd—N(pyridine) distances are 2.021 (3) and 2.039 (3) Å, respectively. 相似文献
17.
Jesús García Díaz Jozef Koíek Marek Fronc Anton Gatial Ingrid Svoboda Vratislav Langer 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m180-m182
Crystals of the title complex, [Cu(CN3O2)2(C3H4N2)4], the structure of which has been determined by single‐crystal X‐ray diffraction at 304 K, appear to be pseudo‐merohedrally twinned. Transformation to a monoclinic C‐centred cell was necessary in order to derive the twin law. Twin refinement in a triclinic unit cell significantly reduced the R value. The asymmetric unit of the triclinic cell consists of one molecule in a general position and two half entities with the Cu atom on a centre of inversion. The coordination of the Cu atom is quasi‐octahedral, with four imidazole N‐atom donors in the equatorial plane and two cyano N atoms from the N‐nitrocyanamidate anion in axial positions. Owing to symmetry in the centrosymmetric molecules, the trans imidazole ligands are parallel, while those in the non‐centrosymmetric molecule make angles of 22.8 (2) and 77.9 (2)°. 相似文献
18.
Shigeru Ohba Makoto Eishima 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e559-e560
In the title compound, trans‐[CoCl(NO2)(C2H8N2)2]ClO4, there are two independent CoIII complexes with a distorted octahedral coordination, and they show an orientational disorder such that the positions of the nitro and chloro ligands are exchanged. As a result, the averaged structure has inversion centres at the Co atoms. The perchlorate‐O atoms are disordered over two sites. 相似文献
19.
Sujittra Youngme Jaturong Phatchimkun Samran Prabpai Chaveng Pakawatchai Palangpon Kongsaeree 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m45-m47
The two new title complexes, [Cu(N3)(dpyam)2]PF6 (dpyam is di‐2‐pyridylamine, C10H11N3), (I), and [Cu(N3)(dpyam)2]Cl·4H2O, (II), respectively, have been characterized by single‐crystal X‐ray diffraction. Both complexes display a distorted square‐pyramidal geometry. Each Cu atom is coordinated in the basal plane by three dpyam N atoms and one azide N atom in equatorial positions, and by another N atom from the dpyam group in the apical position. In complex (I), the one‐dimensional supramolecular architecture is assembled via hydrogen‐bonding interactions between the amine N atom and terminal azide N atoms and the F atoms of the PF6− anion. For complex (II), hydrogen‐bonding interactions between the amine N atom, the Cl− anion and water O atoms result in a two‐dimensional lattice. 相似文献
20.
Jacek Zaleski Mieczysaw Gabryszewski Bartosz Zarychta 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m151-m154
The copper(II) environments for tetrakis(1‐ethyl‐1,2,4‐triazole)dinitratocopper(II), [Cu(NO3)2(C4H7N3)4], and tetrakis(1‐propyl‐1,2,4‐triazole)dinitratocopper(II), [Cu(NO3)2(C5H9N3)4], are distorted square bipyramidal. Both structures are centrosymmetric, with the copper(II) ions located at inversion centers coordinated by four N atoms of four triazole molecules and by two O atoms of two nitrate ions in an elongated octahedral geometry. This elongation is a result of the Jahn–Teller effect. The largest distortion is that of the N—Cu—O angles, which differ from 90° by 5.68 (10)° in the ethyl and 5.59 (8)° in the propyl derivative. 相似文献