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1.
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
2.
In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐nicotinato‐κ2N:O], [Ag(C6H4NO2)(C10H9N3)]n, the AgI atom is tetracoordinated by two N atoms from the di‐2‐pyridylamine (BPA) ligand [Ag—N = 2.3785 (18) and 2.3298 (18) Å] and by one N atom and one carboxylate O atom from nicotinate ligands [Ag—N = 2.2827 (15) Å and Ag—O = 2.3636 (14) Å]. Bridging by nicotinate N and O atoms generates a polymeric chain structure, which extends along [100]. The carboxyl O atom not bonded to the Ag atom takes part in an intrachain C—H⋯O hydrogen bond, further stabilizing the chain. Pairs of chains are linked by N—H⋯O hydrogen bonds to generate ribbons. There are no π–π interactions in this complex. In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐2,6‐dihydroxybenzoato‐κ2O1:O2], [Ag(C7H5O4)(C10H9N3)]n, the AgI atom has a distorted tetrahedral coordination, with three strong bonds to two pyridine N atoms from the BPA ligand [Ag—N = 2.286 (5) and 2.320 (5) Å] and to one carboxylate O atom from the 2,6‐dihydroxybenzoate ligand [Ag—O = 2.222 (4) Å]; the fourth, weaker, Ag‐atom coordination is to one of the phenol O atoms [Ag⋯O = 2.703 (4) Å] of an adjacent moiety, and this interaction generates a polymeric chain along [100]. Pairs of chains are linked about inversion centers by N—H⋯O hydrogen bonds to form ribbons, within which there are π–π interactions. The ribbons are linked about inversion centers by pairs of C—H⋯O hydrogen bonds and additional π–π interactions between inversion‐related pairs of 2,6‐dihydroxybenzoate ligands to generate a three‐dimensional network. 相似文献
3.
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
4.
Mahbod Morshedi Soraia Meghdadi Kurt J. Schenk 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):m87-m89
The quinquedentate ligand 2,2′‐[1,1′‐(4‐azaheptane‐1,7‐diyldinitrilo)diethylidyne]diphenol in the title compound, [Cu(C22H27N3O2)], furnishes an N3O2 donor set, which results in a distorted square‐pyramidal coordination; the two O and two imine N atoms lie in the basal plane, while the secondary amine N atom of the ligand occupies the axial position. The axial Cu—N bond is 0.33 Å longer than the average of the equatorial bonds, and the O atoms are trans. The symmetry of the molecule is lowered by the twist–boat and chair conformations adopted by the two CuNN chelate rings. The complex contains two intramolecular C—H⋯O interactions, and two molecules of the complex are linked into a dimer by means of moderate N—H⋯O hydrogen bonds. Spectroscopic evidence supports the presence of hydrogen bonds. 相似文献
5.
Hong‐Yu Chen Qi Fang Gang Xue Wen‐Tao Yu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m535-m537
In the title compound, {[K2Ni(C5O5)2(H2O)2]·4H2O}n, the Ni atom lies on an inversion centre. Two inversion‐related croconate [4,5‐dihydroxy‐4‐cyclopentene‐1,2,3‐trionate(2−)] ligands and an NiII ion form a near‐planar symmetrical [Ni(C5O5)2]2− moiety. The near‐square coordination centre of the moiety is then extended to an octahedral core by vertically bonding two water molecules in the [Ni(C5O5)2(H2O)2]2− coordination anion. The crystal structure is characterized by a three‐dimensional network, involving strong K⋯O⋯K binding, K⋯O—Ni binding and hydrogen bonding. 相似文献
6.
Pascale Lemoine Karima Bendada Bernard Viossat 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m489-m491
The asymmetric unit of the title compound, [Zn(C7H5O3)2(C10H8N2)], contains one monomeric zinc complex. The Zn atom is coordinated to one 2,2′‐bipyridyl ligand via both N atoms and to two salicylate anions (Hsal−) in a bidentate chelating manner involving carboxylate O‐atom coordination. The complex exhibits a distorted octahedral geometry about the ZnII atom, with the `apical' positions occupied by one of the two N atoms of the bipyridyl ligand and an O atom from one Hsal− ligand; the Zn atom is 0.168 (1) Å out of the `basal' plane. Two intramolecular six‐membered hydrogen‐bonded rings are present, generated from interactions between the carboxyl and hydroxyl groups of the salicylate ligands. The crystal packing is governed by weak C—H⋯O and C—H⋯π interactions. 相似文献
7.
Li‐Fang Zhang Zhong‐Hai Ni Zhi‐Min Zong Xian‐Yong Wei Chun‐Hua Ge Hui‐Zhong Kou 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m542-m544
In the title one‐dimensional complex, {[MnIII(C9H10NO2)2]Cl}n, the Schiff base ligand 2‐[(2‐hydroxyethyl)iminomethyl]phenolate (Hsae−) functions as both a bridging and a chelating ligand. The MnIII ion is six‐coordinated by two N and four O atoms from four different Hsae− ligands, yielding a distorted MnO4N2 octahedral environment. Each [MnIII(Hsae)2]+ cationic unit has the Mn atom on an inversion centre and each [MnIII(Hsae)2]+ cation lies about another inversion centre. The chain‐like complex is further extended into a three‐dimensional network structure through Cl⋯H—O hydrogen bonds and C—H⋯π contacts involving the Hsae− rings. 相似文献
8.
Cem Cüneyt Ersanl igdem Albayrak Mustafa Odabaoglu Ahmet Erdnmez 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o601-o602
The title compound, C13H10N2O4, adopts the keto–amine tautomeric form and displays an intramolecular N—H⋯O [N⋯O = 2.579 (2) Å] and three intermolecular O—H⋯O [O⋯O = 2.561 (2) Å] and C—H⋯O [C⋯O = 3.274 (2) and 3.318 (2) Å] hydrogen bonds. The keto–amine structure is favoured by through‐molecule conjugation between the hydroxy O atom and imine N atom. The dihedral angle between the planes of the two aromatic rings is 10.79 (4)°. 相似文献
9.
Roman Jambor Ivana Císaov Ale Rui
ka Jaroslav Hole
ek 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):373-374
In the title compound, [Sn(C6H5)2(C12H19N2)]Br·H2O, the SnIV atom lies on a twofold axis and is coordinated by a C and two N atoms from the 2,6‐bis[(dimethylamino)methyl]phenyl ligand in a tridentate fashion and by two phenyl groups. The resulting geometry is intermediate between square pyramidal and trigonal bipyramidal, with three C atoms in equatorial and the two N atoms in axial positions. The main deformation from ideal trigonal‐bipyramidal geometry is seen for the N—Sn—N angle [152.18 (7)°]. The Br? anion and the water solvate molecule are on an inversion centre and twofold axis, respectively. They form an infinite chain of Br?H—O—H?Br hydrogen bonds [Br?O 3.529 (2) Å] without contributing to the primary coordination sphere of the Sn atom. 相似文献
10.
Ahmet Karadag Hümeyra Paaoglu Gkhan Kata Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m581-m583
The title compound, catena‐poly[[μ‐cyano‐1:2κ2C:N‐dicyano‐1κ2C‐trans‐bis[N‐(2‐hydroxyethyl)ethane‐1,2‐diamine‐2κ2N,N′]cadmium(II)nickel(II)]‐μ‐cyano‐1:2′κ2C:N], [CdNi(CN)4(C4H12N2O)2], consists of alternating square‐planar Ni(CN)4 fragments, formally dianionic, and Cd(hydet‐en)2 moieties [hydet‐en is N‐(2‐hydroxyethyl)ethylenediamine], with the two bridging cyanide ligands in a mutually trans disposition at the Ni atom and cis at the Cd atom. The resulting one‐dimensional zigzag chain structure has the Ni atom on an inversion center, while the distorted octahedron centered on the Cd atom lies on a twofold axis. The polymer chains are connected into undulating sheets by weak interchain N—H⋯N, N—H⋯O and O—H⋯N hydrogen bonds, which are also present between successive sheets. 相似文献
11.
Jussara Lopes de Miranda Judith Felcman James L. Wardell Janet M. S. Skakle 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m471-m474
The title compound, [Cu2(NO3)2(C3H7N3O2)4], forms a centrosymmetric dimer, with the two Cu2+ ions separated by 2.6525 (6) Å. The asymmetric unit contains a Cu atom coordinated to two guanidinoacetic acid ligands (via one carboxylate O atom from each ligand) and to a nitrate group. The inversion centre in P generates the entire molecule, in which each Cu atom is coordinated to four carboxylate and to one nitrate O atom; ignoring the Cu—Cu separation, the geometry about each Cu atom is square pyramidal. The amino acid ligand is in the zwitterionic form. Strong N—H?O hydrogen bonds lead to a three‐dimensional supramolecular structure, in which the N?O distances are in the range 2.931 (4)–3.278 (3) Å, with N—H?O angles ranging from 128 to 170°. 相似文献
12.
Bin Liu Jing‐Wen Chen Xiao‐Qing Chen Yi‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m42-m44
The asymmetric unit of the title compound, [Ni2(C25H31N4O3)(C2H3O2)2]PF6·0.5H2O, consists of two dinuclear nickel cations, two hexafluorophosphate anions and one water molecule of crystallization. Within each cation, the Ni atoms are bridged by two exogenous acetate groups and an endogenous cresol O atom of a phenolate‐based `end‐off' compartmental ligand that possesses two pendant chelating arms attached to the ortho positions of the phenol ring. Each Ni atom is six‐coordinate with a slightly distorted octahedral geometry. The two symmetry‐independent cations are linked into a dimeric unit through O—H⋯O hydrogen bonds. Additional O—H⋯O, C—H⋯F and C—H⋯O intermolecular interactions link all of the units in the structure into a three‐dimensional framework. 相似文献
13.
Mustafa OdabasÛoglu igdem Albayrak Orhan Büyükgüngr Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o616-o619
The title compounds, 2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO4, (I), 6‐hydroxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO5, (II), and 6‐methoxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C12H17NO5, (III), adopt the keto–amine tautomeric form, with the formal hydroxy H atom located on the N atom, and the NH group and oxo O atom display a strong intramolecular N—H⋯O hydrogen bond. The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclohexadiene rings. The carbonyl O atoms accept two other H atoms from the alcohol groups of adjacent molecules in (I), and one from the alcohol and one from the phenol group in (II), but from only one alcohol H atom in (III). 相似文献
14.
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
15.
igdem Albayrak Mustafa Odabaolu Orhan Büyükgüngr Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o318-o320
The molecule of the former title compound, C13H9ClN2O2, (I), is nearly planar, with an intramolecular O⋯O hydrogen bond of 2.692 (2) Å. The latter title compound, C17H18ClN3O4, (II), exists in the keto–amine tautomeric form, with a strong intramolecular hydrogen bond of 2.640 (2) Å between the O and N atoms, the H atom being bonded to the N atom. The azobenzene moieties of both molecules have trans configurations, and the dihedral angle between the planes of the two aromatic rings is 4.1 (1)° in (I) and 9.9 (1)° in (II). The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclohexadiene rings in (II). 相似文献
16.
trans‐Diaquabis(5‐carboxy‐1H‐imidazole‐4‐carboxylato‐κ2N3,O4)cobalt(II) 4,4′‐bipyridine solvate
Rong Cao Yu‐Ling Wang Wen‐Hua Bi 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m609-m611
In the title compound, [Co(C5H3N2O4)2(H2O)2]·C10H8N2, the Co atom is trans‐coordinated by two pairs of N and O atoms from two monoanionic 4,5‐dicarboxyimidazole ligands, and by two O atoms from two coordinated water molecules, in a distorted octahedral geometry. The 4,4′‐bipyridine solvent molecule is not involved in coordination but is linked by an N—H⋯N hydrogen bond to the neutral [Co(C5H3N2O4)2(H2O)2] molecule. Both molecules are located on inversion centers. The crystal packing is stabilized by N—H⋯N and O—H⋯O hydrogen bonds, which produce a three‐dimensional hydrogen‐bonded network. Offset π–π stacking interactions between the pyridine rings of adjacent 4,4′‐bipyridine molecules were observed, with a face‐to‐face distance of 3.345 (1) Å. 相似文献
17.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
18.
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
19.
Jose G. Trujillo‐Ferrara Itzia I. Padilla‐Martínez Herbert Hpfl Francisco J. Martínez‐Martínez Norberto Farfan‐García Efrn V. García‐Bez 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o723-o726
The carboxylic acid group and the double bond are coplanar in (E)‐3‐(benzoxazol‐2‐yl)prop‐2‐enoic acid, C10H7NO3, whereas in isomeric (Z)‐3‐(benzoxazol‐2‐yl)prop‐2‐enoic acid, also C10H7NO3, they are almost orthogonal. In both isomers, a strong O—H⋯N hydrogen bond, with the carboxylic acid group as a donor and the pyridine‐like N atom as an acceptor, and weak C—H⋯O interactions contribute to the observed supramolecular structures, which are completed by π–π stacking interactions between oxazole and benzenoid rings. 相似文献
20.
Shan Gao Ji‐Wei Liu Li‐Hua Huo Zhi‐Zhong Sun Jin‐Sheng Gao Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m363-m365
In the title neutral coordination polymer, [Cd(C6H3ClNO2)2(H2O)2]n, each CdII ion is coordinated by one N and four O atoms from three 2‐chloronicotinate ligands and by two aqua ligands, defining a distorted monocapped octahedral coordination geometry. Adjacent Cd atoms are linked by the pyridyl N atom and the bidentate carboxylate functional group of a 2‐chloronicotinate ligand, forming a one‐dimensional infinite chain along the b axis. The Cd⋯Cd distance is 8.112 (3) Å. These chains are linked by O—H⋯O and O—H⋯N hydrogen bonds into a three‐dimensional network structure. 相似文献