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1.
Dubravka Matkovi‐alogovi Draginja Mrvo‐Sermek Zora Popovi
eljka Soldin 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m44-m46
The title compound, [Hg(C4H4N2S)(C4H3N2S)]2[HgBr4], consists of [Hg(pymt)(pymtH)]+ complex cations (pymtH is pyrimidine‐2‐thione) lying across twofold rotation axes in space group Fddd, with linearly coordinated mercury at an Hg—S distance of 2.357 (3) Å, and [HgBr4]2− anions lying at sites of 222 symmetry. The Hg atom is additionally coordinated by two N and two Br atoms, forming a 2+4 effective coordination sphere. The protonated ligand is connected via N—H⋯N hydrogen bonds to the neighbouring unprotonated ligand, thus forming infinite chains of cations. 相似文献
2.
Tamami Koshiyama Masako Kato 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m173-m176
The title dinuclear platinum(III) complex, [Pt2(C11H8N)2(C5H4NS)4], forms two crystal structures, viz. the non‐solvated and acetonitrile‐solvated (C2H3N) forms. For both forms, two (2‐pyridylphenyl)platinum units are bridged by two pyridine‐2‐thiolate (pyt) anions in a head‐to‐tail configuration, and the other two pyridine‐2‐thiolate anions occupy the axial position, coordinated through their S atoms. The most remarkable difference between the two forms is the orientation of the axial monodentate ligands. Those for the solvated form are located over the 2‐pyridylphenyl ligands, being related by a twofold axis which lies through the centre of the Pt—Pt bond, while the axial pyt ligands for the non‐solvated form are oriented irregularly, which is attributable to the dimeric arrangement in the crystal. 相似文献
3.
T. Nakahodo E. Horn E. R. T. Tiekink 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1316-1318
The Cu atom in [Cu(C7H4NOS)(C7H5NOS)(C18H15P)2] is tetrahedrally coordinated by a P2S2 donor set. One S atom is derived from neutral benzoxazole‐2‐thione and the other from the deprotonated form of the ligand. The two sulfur ligands are connected via an N—H?N interaction, leading to the formation of an eight‐membered ring. 相似文献
4.
Mustapha Aitali Larbi El Firdoussi Abdellah Karim Alejandro F. Barrero Miguel Quirs 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1088-1089
The title compound, [(S)‐2‐(anilinomethyl)pyrrolidine‐N,N′]‐chloro(η6‐para‐cymene)ruthenium(II) chloride, [RuCl‐(C10H14)(C11H16N2)]Cl, has been synthesized by the reaction of [RuCl2(p‐cymene)]2 (p‐cymene is para‐isopropyltoluene) with (S)‐2‐(anilinomethyl)pyrrolidine in triethylamine/2‐propanol. The Ru atom is in a pseudo‐tetrahedral environment coordinated by a chloride ligand, the aromatic hydrocarbon is linked in a η6 manner and the amine is linked via its two N atoms. The chloride anion is involved in hydrogen bonding with the diamine moieties through N—H?Cl interactions, with N?Cl distances of 3.273 (4) and 3.352 (4) Å. 相似文献
5.
Satyanarayan Pal Samudranil Pal 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m273-m274
In the title complex, [RuCl2(C7H7NO)(C2H6OS)2], the metal ion is at the centre of a distorted octahedral NOCl2S2 coordination sphere. The neutral 2‐acetylpyridine ligand binds to the metal ion through the pyridine N and carbonyl O atoms, forming a five‐membered chelate ring. The monodentate S‐coordinating dimethyl sulfoxide molecules are mutually cis, and the two remaining positions in the coordination sphere are occupied by two mutually trans Cl? ions. 相似文献
6.
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
7.
Jean‐Claude Daran Funda Demirhan
zgür Yldrm Bekir etinkaya 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(2):m48-m52
Owing to increasing interest in the use of N‐heterocyclic carbenes (NHCs) based on imidazolidinium ions as ligands in the design of highly efficient transition‐metal‐based homogeneous catalysts, the characterizations of the 1‐ferrocenylmethyl‐3‐(2,4,6‐trimethylbenzyl)imidazolidin‐3‐ium iodide salt, [Fe(C5H5)(C19H24N2)]I, (I), and the palladium complex trans‐bis(3‐benzyl‐1‐ferrocenylmethyl‐1H‐imidazolidin‐2‐ylidene)diiodidopalladium(II), [Fe2Pd(C5H5)2(C16H17N2)2I2], (II), are reported. Compound (I) has two iodide anions and two imidazolidinium cations within the asymmetric unit (Z′ = 2). The two cations have distinctly different conformations, with the ferrocene groups orientated exo and endo with respect to the N‐heterocyclic carbene. Weak C—H donor hydrogen bonds to both the iodide anions and the π system of the mesitylene group combine to form two‐dimensional layers perpendicular to the crystallographic c direction. Only one of the formally charged imidazolidinium rings forms a near‐linear hydrogen bond with an iodide anion. Complex (II) shows square‐planar coordination around the PdII metal, which is located on an inversion centre (Z′ = 0.5). The ferrocene and benzyl substituents are in a trans–anti arrangement. The Pd—C bond distance between the N‐heterocyclic carbene ligands and the metal atom is 2.036 (7) Å. A survey of related structures shows that the lengthening of the N—C bonds and the closure of the N—C—N angle seen here on metal complexation is typical of similar NHCs and their complexes. 相似文献
8.
Zhenfeng Zhang Dong Xian Jianping Li Guisheng Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):o191-o194
In 1‐(4‐chloroanilinomethyl)‐5‐(4‐chlorophenyl)‐1,3,5‐triazinane‐2‐thione, C16H16Cl2N4S, there are two independent molecules in the asymmetric unit which form inversion dimers via two weak N—H...S hydrogen bonds. The dimers are then linked into C(9)C(14) chains by a C—H...S hydrogen bond and a C—H...Cl contact. In 1‐(anilinomethyl)‐5‐phenyl‐1,3,5‐triazinane‐2‐thione, C16H18N4S, molecules are linked into complex sheets via a combination of N—H...S and C—H...π hydrogen bonds. 相似文献
9.
Lewis M. Broomfield Manfred Bochmann Joseph A. Wright 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(3):m79-m82
The title phosphine oxide–phosphine, 0.43C17H16NOP·0.57C17H16NP, (I)/(II), was obtained as a 0.861 (6):1.139 (6) cocrystallized mixture. Hydrogen bonding between the two constituents leads to the formation of 2:2 solid‐state assemblies. Instead of forming the expected simple N,P‐chelated system via loss of the N‐bound H atom, reaction of 2‐(diphenylphosphinomethyl)pyrrole, (II), with TiCl4 leads to the formation of the title titanium(IV) complex, [TiCl4(C17H16NP)], (IV), containing a rearranged neutral ligand in which the N‐bound H atom moves to one of the pyrrole C atoms, giving a partially unsaturated ring. 相似文献
10.
Sung‐Nak Choi Sang‐Yub Kim Hae‐Wook Ryu Yong‐Min Lee 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m504-m506
In the title compound, [HgCl2(C15H26N2)], the chiral alkaloid (6R,7S,8S,14S)‐(−)‐l ‐sparteine acts as a bidentate ligand, with two Cl− ligands occupying the remaining coordination sites, producing a distorted tetrahedron. The N—Hg—N plane is twisted by 81.1 (2)° from the Cl—Hg—Cl plane. The mid‐point of the N⋯N line does not lie exactly on the Cl—Hg—Cl plane but is tilted towards one of the N atoms by 0.346 Å. Similarly, the mid‐point of the Cl⋯Cl line is tilted toward one of the Cl atoms by 0.163 Å. The packing structure shows that the complex is stabilized by two interatomic Cl⋯H contacts involving both Cl atoms and the methylene or methine H atoms of the (−)‐sparteine ligand. 相似文献
11.
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
12.
Yu‐Bo Wang Tong‐Hen Pan Qian Liang Dong‐Sheng Liu Chang‐Cang Huang 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(5):m127-m129
The asymmetric unit of the title complex, [CdCl2(C14H12N4O2S)2]n, consists of one CdII ion located on the crystallographic inversion centre, one 4‐benzoyl‐1‐isonicotinoylthiosemicarbazide ligand and one chloride ligand. The central CdII ion adopts a distorted octahedral coordination geometry formed by two pyridyl N atoms of two ligands, two S atoms of two other ligands and two chloride ligands. The thiosemicarbazide ligands act as bridges, linking the metal ions into a two‐dimensional layered structure parallel to the bc plane. Intermolecular N—H...O hydrogen bonds and C—H...π interactions exist between adjacent layers. 相似文献
13.
Zhong‐Lu You Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m623-m624
The title complex, [Ag(C7H5O2)(C4H5N3)]n, is a polymer based on a mononuclear silver(I)‐centered fragment. The AgI atom is trigonally coordinated by two N atoms from two 2‐aminopyrimidine ligands and one O atom from one benzoate anion, giving zigzag polymeric chains with an [–Ag—N—C—N–]n backbone running along the a axis. It is proposed that intermolecular hydrogen bonding drives the formation of the chain polymer. 相似文献
14.
Ying‐Ying Zhang Shi‐Xiong Liu 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(7):m269-m272
The CeIII ion in the title complex, [Ce(NO3)3(C13H12N4O)2], is 12‐coordinated by six chelating nitrate O atoms and six donors (2 O and 4 N atoms) of two N′‐[1‐(2‐pyridyl)ethylidene]isonicotinohydrazide ligands, exhibiting a bicapped pentagonal‐antiprism‐type coordination geometry. The title complex possesses C2 point symmetry and is located on a twofold crystallographic axis. Each molecule is linked with four surrounding molecules by four N—H...N hydrogen bonds, resulting in an extended two‐dimensional layer parallel to the ab plane, while π–π interactions between pyridine rings from neighboring complex molecules connect the two‐dimensional layers into a three‐dimensional cerium–organic supramolecular structure. 相似文献
15.
Halis
lmez Cengiz Arc Okan Zafer Yeilel 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(6):m240-m242
In the title complex, mer‐diaqua[2,6‐dioxo‐1,2,3,6‐tetrahydropyrimidine‐4‐carboxylato(2−)]bis(1H‐imidazole‐κN3)cobalt(II), [Co(C5H2N2O4)(C3H4N2)2(H2O)2], the CoII ion is coordinated by a deprotonated N atom and the carboxylate O atom of the orotate ligand, two imidazole N atoms and two aqua ligands in a distorted octahedral geometry. The title complex exists as discrete doubly hydrogen‐bonded dimers, and a three‐dimensional network of O—H...O and N—H...O hydrogen bonds and weak π–π interactions is responsible for crystal stabilization. 相似文献
16.
Fernando Avecilla David Esteban Carlos Platas‐Iglesias Andres De Blas Teresa Rodríguez‐Blas 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):m16-m17
The X‐ray crystal structure of the title complex, [Ba(NCS)2(C24H36N4O3)], indicates that the BaII cation is nine‐coordinate in the solid state, being fully encapsulated by the organic receptor ligand. The receptor adopts a syn arrangement, with both pendant arms oriented on the same side of the crown moiety. The distance between the two amine N atoms is 3.911 (12) Å, while the pivotal N atoms are 5.322 (10) Å apart. 相似文献
17.
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
18.
Sung Kwon Kang Sung‐Nak Choi Yong‐Min Lee 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m174-m176
In the title compound, [NiCl2(C15H26N2)], the chiral alkaloid (6R,7S,8S,14S)‐(−)‐l ‐sparteine acts as a bidentate ligand, with two chloride ligands occupying the remaining coordination sites, producing a slightly distorted tetrahedron. The N—Ni—N plane in the title complex is twisted by 81.31 (11)° from the Cl—Ni—Cl plane. Other distortions of the tetrahedron are discussed. 相似文献
19.
Alexander S. Lyakhov Pavel N. Gaponik Darya S. Pytleva Sergei V. Voitekhovich Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):m421-m422
The title compound, [Ni(BMTT)2], where BMTT is 1,3‐bis(2‐methyltetrazol‐5‐yl)triazenide (C4H6N11), presents a molecular complex with tridentate ligands. The tridentate mode of the ligand is realised through the central N atom of the triazene group and two N atoms of the two tetrazole rings. The [Ni(BMTT)2] molecule is the meridional isomer, with crystallographic symmetry in space group P42/n. The nickel centre has a distorted octahedral environment, with two axial Ni—N bonds of 2.041 (2) Å and four equatorial Ni—N bonds of 2.0739 (14) Å. The molecules are linked together by van der Waals interactions only. 相似文献
20.
Anna Doga Katarzyna Baranowska Agnieszka Pladzyk Katarzyna Majcher 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(7):m259-m263
The complexes [2‐(1H‐imidazol‐4‐yl‐κN3)ethylamine‐κN]bis(tri‐tert‐butoxysilanethiolato‐κS)cobalt(II), [Co(C12H27O3SSi)2(C5H9N3)], and [2‐(1H‐imidazol‐4‐yl‐κN3)ethylamine‐κN]bis(tri‐tert‐butoxysilanethiolato‐κS)zinc(II), [Zn(C12H27O3SSi)2(C5H9N3)], are isomorphous. The central ZnII/CoII ions are surrounded by two S atoms from the tri‐tert‐butoxysilanethiolate ligand and by two N atoms from the chelating histamine ligand in a distorted tetrahedral geometry, with two intramolecular N—H...O hydrogen‐bonding interactions between the histamine NH2 groups and tert‐butoxy O atoms. Molecules of the complexes are joined into dimers via two intermolecular bifurcated N—H...(S,O) hydrogen bonds. The ZnII atom in [(1H‐imidazol‐4‐yl‐κN3)methanol]bis(tri‐tert‐butoxysilanethiolato‐κ2O,S)zinc(II), [Zn(C12H27O3SSi)2(C4H6N2O)], is five‐coordinated by two O and two S atoms from the O,S‐chelating silanethiolate ligand and by one N atom from (1H‐imidazol‐4‐yl)methanol; the hydroxy group forms an intramolecular hydrogen bond with sulfur. Molecules of this complex pack as zigzag chains linked by N—H...O hydrogen bonds. These structures provide reference details for cysteine‐ and histidine‐ligated metal centers in proteins. 相似文献