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1.
Veysel T. Yilmaz Ahmet Karadag Carsten Thne Regine Herbst‐Irmer 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):948-949
In the neutral title complex, trans‐bis(2,2′‐iminodiethanol‐N,O)bis(isothiocyanato)nickel(II), [Ni(NCS)2(C4H11NO2)2], the isothiocyanate ions and the diethanolamine molecules act as monodentate and bidentate ligands, respectively. The NiII ion exhibits a distorted octahedral configuration with crystallographically imposed inversion symmetry and NNCS—Ni—Namine and NNCS—Ni—Oamine bond angles of 88.78 (10) and 89.44 (10)°, respectively. The Ni—N bond distances are in the range 2.069 (3)–2.096 (2) Å. The molecules are linked by hydrogen bonds to form a three‐dimensional infinite lattice. 相似文献
2.
Mohammed Fettouhi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e495-e496
In the title compound, [Zn(NCS)2(C12H16N3O)2], the ZnII ion has a distorted tetrahedral coordination. It is bonded to two thiocyanate and two pyridyl N atoms. The metal ion and the two thiocyanate ligands lie on a mirror plane with the Zn—Npy and average Zn—NNCS bond distances being 2.036 (2) and 1.931 (4) Å, respectively 相似文献
3.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m406-m408
The title complex, [Cu(C11H14BrN2O)(NCS)]n, is an interesting thiocyanate‐bridged polynuclear copper(II) compound, which crystallizes with two independent molecules in the asymmetric unit. Each CuII atom is five‐coordinate in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thiocyanate ligand defining the basal plane, and one terminal S atom of another bridging thiocyanate ligand occupying the apical position. The {4‐bromo‐2‐[2‐(dimethylamino)ethyliminomethyl]phenolato}copper(II) units are linked by the bridging thiocyanate ligands, forming polymeric chains running along the a axis. There are weak intermolecular C—H⋯O and C—H⋯S hydrogen bonds between the chains in the crystal structure. 相似文献
4.
Jn Van
o Oga vajlenov Jaromír Marek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):m190-m192
The title compound, K2[Cu2(NCS)2(C12H13NO3)2], consists of two K+ cations and (N‐salicylidene‐d ‐valinato)copper(II) and (N‐salicylidene‐l ‐valinato)copper(II) coordination units connected through three‐atom thiocyanate (μ‐NCS) bridges into a centrosymmetric dianion. The CuII atom adopts a square‐pyramidal coordination, with three donor atoms of the tridentate Schiff base and one N atom of the bridging ligand (μ‐NCS) in the basal plane. The axial position is occupied by the thiocyanate S atom of a symmetry‐related ligand at an apical distance of 2.9332 (10) Å. Coulombic interactions between six‐coordinated K+ ions and the heteroatoms of neighbouring dimeric anions leads to the formation of one‐dimensional chains of molecules parallel to [010]. The superposition of the normals of the pyramidal base planes in a direction close to [001] indicates possible π–π interactions between neighbouring units. 相似文献
5.
Bao‐Zong Li Xun‐Gao Liu Yan‐Fen Peng Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m41-m44
In the title complex, poly[cadmium(II)‐μ2‐1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene‐di‐μ2‐thiocyanato], [Cd(NCS)2(C12H12N6)]n, the CdII atom lies on an inversion centre in a distorted octahedral environment. Four N atoms from the thiocyanate and 1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene (bbtz) ligands occupy the equatorial positions, and two S atoms from symmetry‐related thiocyanate ligands occupy the axial positions. The benzene ring of the bbtz ligand lies about an inversion centre. Single thiocyanate bridges link the CdII atoms into two‐dimensional sheets containing novel 16‐membered [Cd4(μ‐NCS‐N:S)4] rings. The bbtz ligands further link these two‐dimensional sheets into an unprecedented covalent three‐dimensional network for the cadmium–thiocyanate system. 相似文献
6.
Mohammad Abul‐Haj Miguel Quirs Juan M. Salas 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):934-935
The title compound, [Ni(NCS)2(C5H4N4O)2(H2O)2], crystallizes in the triclinic space group P. The molecular unit contains two neutral molecules of 4,5‐dihydro‐1,2,4‐triazolo[1,5‐a]pyrimidin‐5‐one (5HtpO) coordinated through the N atom in position 3, two thiocyanate ligands coordinated through their N atoms and two water molecules completing an octahedral environment around the NiII ion, which lies on a centre of inversion. The structure is stabilized by hydrogen bonding. Distances in the coordination sphere are Ni—N3(5HtpO) 2.132 (2), Ni—O(water) 2.085 (2) and Ni—N(thiocyanato) 2.040 (2) Å. 相似文献
7.
Hyoung‐Sil Moon Chong‐Hyeak Kim Sueg‐Geun Lee 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):425-426
In the title compound, catena‐poly[[bis(aniline‐N)cadmium(II)]‐di‐μ‐thiocyanato‐S:N;N:S], [Cd(SCN)2(C6H7N)2], the CdII atom lies on an inversion centre and is in a distorted octahedral geometry. The coordination sphere contains two thiocyanate (SCN) S atoms, two isothiocyanate (NCS) N atoms and two aniline N atoms. The six‐coordinated Cd atoms run parallel to the b axis and are doubly bridged with neighbouring Cd atoms by SCN and NCS ligands. Thus, this complex has a one‐dimensional coordination polymeric chain structure in which the aniline ligand is in the trans conformation. 相似文献
8.
Palanichamy Manikandan K. R. Justin Thomas Periakaruppan T. Manoharan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):308-309
The title compound, [Cu(NCS)2(C17H21N5)], displays a distorted square‐pyramidal coordination geometry, where the basal plane is defined by the tridentate ligand and by one of the thiocyanate ions. The apical position is occupied by the other thiocyanate ion. 相似文献
9.
Zhong‐Lu You Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m421-m423
The title complex, [Cu(C13H9Cl2N2O)(NCS)]n, is a novel thiocyanate‐bridged polynuclear copper(II) compound. The CuII atom is five‐coordinated in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thiocyanate ligand defining the basal plane, and one terminal S atom of another bridging thiocyanate ligand occupying the axial position. The [2,4‐dichloro‐6‐(pyridin‐2‐ylmethyliminomethyl)phenolato]copper(II) moieties are linked by the bridging thiocyanate ligands, forming polymeric chains running along the a axis. 相似文献
10.
Christian Nther Inke Jeß 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):m190-m192
The CuI cations in the title compound, [Cu(NCS)(C6H6N2O)2]n, are coordinated by N atoms from each of two mirror‐related nicotinamide ligands, as well as by one N atom of one thiocyanate ligand and one S atom of a symmetry‐related thiocyanate ligand, within a slightly distorted tetrahedron. The CuI cations and the thiocyanate anions are located on a crystallographic mirror plane and the nicotinamide ligands occupy general positions. The CuI cations are connected by the thiocyanate anions to form chains in the direction of the crystallographic a axis. These chains are connected by hydrogen bonds between the amide H atoms and the O atoms of adjacent nicotinamide ligands, to give a three‐dimensional structure. 相似文献
11.
Zhao‐Di Liu Ying Zou Min‐Yu Tan Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):m447-m448
The title compound, {(C6H14N2)[Ag(NCS)3]}n, is a polymeric silver(I) complex. The AgI atom is hexacoordinated by the S atoms of six thiocyanate anions, with each thiocyanate S atom acting in a bridging mode to link the Ag atoms together. The unique AgI atom lies at a cell origin and has crystallographically imposed symmetry. The diazonia[2.2.2]octane molecule lies about a site with imposed symmetry with the unique N atom on a threefold axis. The S and N atoms of the thiocyanate ligands sit on a mirror plane and a threefold axis, respectively. The crystal structure consists of one‐dimensional chains, which are stabilized by N—H⋯N hydrogen bonds to form a three‐dimensional network. 相似文献
12.
Alfred Muller Andreas Roodt 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m266-m268
The structure of the title compound, [Pt(C6H5)2(C6H12N3P)2] or [Pt(Ph)2(PTA)2] (where Ph is phenyl and PTA is 1,3,5‐triaza‐7‐phosphaadamantane), is discussed. Selected geometric parameters are: Pt—P = 2.2888 (16) and 2.2944 (17) Å, Pt—C = 2.052 (5) and 2.064 (6) Å, C—Pt—C = 84.6 (2)° and P—Pt—P = 99.28 (6)°. The effective cone angle for the PTA ligands was calculated as 113°. 相似文献
13.
John H. Aupers George Ferguson Christopher Glidewell John N. Low James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):945-947
Molecules of the title compound, [PdCl(C6H4NO2S)(PPh3)2]·C3H6O, exhibit a slight distortion from exact planarity at the Pd atom towards tetrahedral, with P—Pd—P and Cl—Pd—S angles of 174.98 (3) and 174.19 (3)°, respectively. The Pd—Cl and Pd—S bonds are, respectively, long [2.3550 (11) Å] and short [2.3020 (12) Å] for their types; the S—C bond is also very short [1.744 (4) Å]. The solvating acetone molecule is linked to one of the phosphine ligands by means of a C—H?O hydrogen bond. 相似文献
14.
Kelly Flood Neil F. Curtis Ward T. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m78-m80
The title compound, [Co(NCS)2(C11H26N4)]2[Zn(NCS)4]·C2H5OH, has two similar cations with the CoIII atom coordinated in a planar fashion by the 13‐membered cyclic tetraamine, in the 1R,4S,7R,10S configuration, and with trans isothiocyanate ligands. The six‐membered chelate ring is in a chair conformation, with one axially and one equatorially oriented methyl substituent [mean Co—N = 1.948 (2) Å]. The `opposite' chelate ring (N4 and N7) is in an eclipsed conformation [mean Co—N = 1.928 (2) Å], and the `side' chelate rings have gauche conformations. The mean Co—NNCS distance is 1.928 (2) Å. Both cations have one Co—N—C group nearly linear and the other appreciably bent, with mean Co—N—C angles of 178.7 (1) and 160.4 (1)°, respectively. The [Zn(NCS)4]2− anion is approximately tetrahedral, with Zn—N = 1.951 (1)–1.986 (1) Å, N—Zn—N = 104.5 (1)–111.9 (1)° and Zn—N—C = 152.5 (1)–179.4 (1)°. One NH group is hydrogen bonded to the ethanol O atom and the other NH groups are bonded to thiocyanate S atoms, forming a network. 相似文献
15.
Irene Ara Fatima El Bahij Mohamed Lachkar Najib Ben Larbi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):m199-m200
The Pd atom in the title compound, [Pd(C3H5OS2)2], lies on an inversion center and adopts a square‐planar coordination geometry defined by the four S atoms of the two dithiocarbonate (xanthate) ligands. In the solid state, the molecules aggregate into layers in which the rows of molecules alternate their orientation to allow each Pd atom to interact with two symmetry‐equivalent S atoms of the xanthate ligands of adjacent molecules, generating a pseudo‐octahedral environment around each Pd atom. This weak interaction of 3.3579 (7) Å can be classified as a closed‐shell electrostatic intermolecular interaction. 相似文献
16.
Yingjun Zhao Weiping Su Rong Cao Maochun Hong 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e331-e332
In the title compound, [Au(C3H2N3S3)(C18H15P)3]·C3H7NO, the AuI atom has a distorted tetrahedral geometry consisting of one uncoordinated dimethylformamide molecule, one trithiocyanurate ligand and three PPh3 ligands. The S—Au distance is 2.909 (2) Å, and the P—Au distances fall in the range 2.400 (14)–2.4074 (13) Å. The S—Au—P angles are 92.81 (6), 99.17 (6) and 104.21 (5)°, and the P—Au—P angles are 114.46 (5), 119.04 (5) and 119.66 (5)°. 相似文献
17.
Yu‐Mei Zhang Yu‐Ping Zhang Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m120-m122
The coordination geometry of the ZnII atom in the title complex, [Zn2(NCS)4(C6H8N6)2], is that of a distorted tetrahedron, in which the ZnII atom is coordinated by four N atoms from the triazole rings of two symmetry‐related 1,2‐bis(1,2,4‐triazol‐1‐yl)ethane ligands and two thiocyanate ligands. Two ZnII atoms are bridged by two organic ligands to form a dimer. The dimer lies about an inversion center. 相似文献
18.
Seong Huh Young Jun Park Alan. J. Lough Moo‐Jin Jun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):416-417
The title compound, [RuH(C6H8BN4)(C21H21P)2(CO)], possesses two trans‐disposed tri‐p‐tolylphosphines in axial positions and the remaining ligands in equatorial positions. The overall geometry of the RuII ion is a distorted octahedral structure. The P—Ru—P axis deviates from linearity by about 13°. This distortion arises mainly from the steric congestion between the bulky phosphine moieties and the tetrahedral dihydrobis(pyrazol‐1‐yl)borate ligands. 相似文献
19.
Elmer C. Alyea Shanmugaperumal Kannan George Ferguson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e493-e494
The title compound, cis‐[Pd2Cl3(C7H7S)(C6H15P)2], has bridging chloro and arylthiolato groups, with the phosphines being trans to the bridging chloro group. The four‐membered metallocyclic Pd2ClS ring is unexpectedly non‐planar, with a dihedral angle of 133.8 (1)° between the PdCl2SP coordination planes. Principal dimensions include Pd—Clt 2.316 (3) and 2.329 (3), Pd—Clb 2.442 (3) and 2.432 (3), Pd—S 2.280 (3) and 2.282 (3), and Pd—P 2.233 (3) and 2.236 (3) Å (where Clt and Clb are terminal and bridging chloro ligands, respectively). 相似文献
20.
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