共查询到20条相似文献,搜索用时 31 毫秒
1.
Brian T. Holmes Clifford W. Padgett William T. Pennington 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o114-o116
The title compound, C34H26N4·2CH2Cl2, lies about an inversion center. The solvent molecules interact with the benzene molecule both through C—H⃛N hydrogen bonding to span pyridine N atoms of adjacent vinyl groups, possibly stabilizing the rotational conformation observed, and through a π interaction between a dichloromethane Cl atom and a pyridyl ring C—C bond of a c‐glide‐related molecule. The benzene molecules form stacks along the a axis such that two of the four olefin groups are properly oriented for photoreactivity (2+2 cyclodimerization). 相似文献
2.
The title compounds, bis(pyridine‐2,6‐dicarboxylato‐N,O,O′)copper(II) monohydrate, [Cu(C7H4NO4)2]·H2O, andbis(pyridine‐2,6‐dicarboxylato‐N,O,O′)zinc(II) trihydrate, [Zn(C7H4NO4)2]·3H2O, have distorted octahedral geometries about the metal centres. Both metal ions are bonded to four O atoms and two pyridyl‐N atoms from the two terdentate ligand molecules, which are nearly perpendicular to each other. The copper(II) complex has twofold crystallographic symmetry and contains two different ligand molecules, one of which is neutral and another doubly ionized. In contrast, the zinc(II) complex contains two identical singly ionized ligand molecules. Both crystal structures are stabilized by O—H?O intermolecular hydrogen bonds between the complex and the water molecules. 相似文献
3.
Volodimir D. Vreshch Andrey B. Lysenko Harald Krautscheid Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m443-m447
In bis[1‐(3‐pyridyl)butane‐1,3‐dionato]copper(II) (the Cu atom occupies a centre of inversion), [Cu(C9H8NO2)2], (I), and bis[1‐(4‐pyridyl)butane‐1,3‐dionato]copper(II) methanol solvate, [Cu(C9H8NO2)2]·CH3OH, (II), the O,O′‐chelating diketonate ligands support square‐planar coordination of the metal ions [Cu—O = 1.948 (1)–1.965 (1) Å]. Weaker Cu⋯N interactions [2.405 (2)–2.499 (2) Å], at both axial sides, occur between symmetry‐related bis(1‐pyridylbutane‐1,3‐dionato)copper(II) molecules. This causes their self‐organization into two‐dimensional square‐grid frameworks, with uniform [6.48 Å for (I)] or alternating [4.72 and 6.66 Å for (II)] interlayer separations. Guest methanol molecules in (II) reside between the distal layers and form weak hydrogen bonds to coordinated O atoms [O⋯O = 3.018 (4) Å]. 相似文献
4.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o1-o5
In the adduct 1,2‐bis(4‐pyridyl)ethane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C12H12N2·2C20H18O3, the bipyridyl component lies across an inversion centre in P. The tris‐phenol molecules [systematic name: 4,4′,4′′‐(ethane‐1,1,1‐triyl)triphenol] are linked by O—H?O hydrogen bonds to form sheets built from R(38) rings, and symmetry‐related pairs of sheets are linked by the bipyridyl molecules via O—H?N hydrogen bonds to form open bilayers. Each bilayer is interwoven with two adjacent bilayers, forming a continuous three‐dimensional structure. In the adduct 1,2‐bis(4‐pyridyl)ethene–1,1,1‐tris(4‐hydroxyphenyl)ethane–methanol (1/1/1), C12H10N2·C20H18O3·CH4O, the molecules are linked by O—H?O and O—H?N hydrogen bonds into three interwoven three‐dimensional frameworks, generated by single spiral chains along [010] and [001] and a triple‐helical spiral along [100]. 相似文献
5.
Xinjiang Huang Genevieve H. Kuhn Vladimir N. Nesterov Boris B. Averkiev Benjamin Penn Mikhail Yu. Antipin Tatiana V. Timofeeva 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o624-o628
Syntheses and X‐ray structural investigations have been carried out for (E)‐(4‐hydroxyphenyl)(4‐nitrophenyl)diazene, C12H9N3O3, (Ia), (E)‐(4‐methoxyphenyl)(4‐nitrophenyl)diazene, C13H11N3O3, (IIIa), and (E)‐[4‐(6‐bromohexyloxy)phenyl](4‐cyanophenyl)diazene, C19H20BrN3O, (IIIc). In all of these compounds, the molecules are almost planar and the azobenzene core has a trans geometry. Compound (Ia) contains four and compound (IIIc) contains two independent molecules in the asymmetric unit, both in space group P (No. 2). In compound (Ia), the independent molecules are almost identical, whereas in crystal (IIIc), the two independent molecules differ significantly due to different conformations of the alkyl tails. In the crystals of (Ia) and (IIIa), the molecules are arranged in almost planar sheets. In the crystal of (IIIc), the molecules are packed with a marked separation of the azobenzene cores and alkyl tails, which is common for the solid crystalline precursors of mesogens. 相似文献
6.
Surajit Banerjee Alok K. Mukherjee Bidisha Nandi Nitya G. Kundu Madeleine Helliwell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1490-1491
The title compound, C20H19NO2S2, is formed by a palladium–copper‐catalyzed reaction between 4‐methyl‐N‐[2‐(prop‐2‐ynylsulfanyl)phenyl]benzenesulfonamide and p‐iodotoluene. The molecules contain three essentially planar parts, namely an aminothiophenol moiety (A), a toluenesulfone moiety excluding the oxo ligands (B) and a tolyl group (C), approximately orthogonal to each other; the dihedral angles A/B, A/C and B/C are 111.6 (1), 89.3 (1) and 101.4 (1)°, respectively. Intermolecular N—H?O hydrogen bonds link the molecules into infinite one‐dimensional chains. 相似文献
7.
Xu‐Cheng Fu Ming‐Tian Li Xiao‐Yan Wang Cheng‐Gang Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):m13-m15
In the crystal structure of the title complex, [Zn(C3H2O4)(C12H8N2)(H2O)2], the ZnII atom displays a distorted octahedral geometry, being coordinated by two N atoms from the 1,10‐phenanthroline ligand, two O atoms from different carboxylate groups of the chelating malonate dianion and two O atoms of cis water molecules. The complex molecules are linked to form a three‐dimensional supramolecular array by both hydrogen‐bonding interactions between coordinated water molecules and the uncoordinated carboxylate O atoms of neighboring molecules, and aromatic π–π stacking interactions between neighboring phenanthroline rings. 相似文献
8.
(2,9‐Dimethyl‐1,10‐phenanthroline‐κ2N,N′)(pyridine‐2,6‐dicarboxylato‐κ3O2,N,O6)copper(II) trihydrate
Ibrahim Uar Ahmet Bulut Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):m479-m481
The copper(II) centre in the mononuclear title complex, [Cu(C7H3NO4)(C14H12N2)]·3H2O, is surrounded by one bidentate 2,9‐dimethyl‐1,10‐phenanthroline (dmphen) ligand and one tridentate pyridine‐2,6‐dicarboxylate ligand, and exhibits a distorted square‐pyramidal geometry. The crystal packing involves both hydrogen‐bonding and π–π interactions. The solvent water molecules link monomers to one another through hydrogen‐bonding interactions, forming ladder‐like chains in the bc plane. Face‐to‐face and slipped π–π interactions also occur between dmphen rings of neighboring molecules and are responsible for interchain packing. 相似文献
9.
Yao‐Cheng Shi Bei‐Bei Zhu Xiao‐Bi Jing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m559-m562
The molecules of N,N′‐bis(2‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide, [Fe(C12H11N2O)2], contain intramolecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The molecules of the isomeric compound N,N′‐bis(3‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the molecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking interactions between pyridyl groups. 相似文献
10.
Damon A. Parrish A. Alan Pinkerton 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):o80-o82
The title solvate of the steroid 17β‐estradiol (E2) with methanol and water, C18H24O2·0.67CH4O·0.33H2O, is the first E2 derivative to contain three crystallographically independent molecules in the asymmetric unit. The three steroid molecules, along with two methanol molecules and a water molecule, create a three‐dimensional hydrogen‐bonded system. Three‐sided columns are formed, with the estradiol molecules aligned lengthwise parallel to (101), and joined by solvent molecules at both hydrophilic ends. The three estradiol molecules differ slightly in their ring‐bowing angles, i.e. the angle between the mean plane of the A ring and that of the BCD ring; this angle ranges from 7.1 to 12.2°. 相似文献
11.
Andreas Decken Gisia L. Pisegna Christopher M. Vogels Stephen A. Westcott 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1071-1072
The title compound, [PdCl2(C7H9N)2]·2C2H6OS, crystallizes with two molecules of dimethyl sulfoxide (DMSO) in monoclinic space group P21/n. The Pd complex is centrosymmetric and thus the phenyl rings of the benzylamine ligands are exo with respect to one another. The crystal packing reveals NH?O and CH?Cl hydrogen bonds between the organometallic molecule and the DMSO molecules, resulting in infinite chains. The distances of the ortho‐H atoms on the phenyl ring to the metal center are in the range 4.71–5.34 Å, precluding any significant intramolecular Pd?H interactions. 相似文献
12.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):873-875
The crystals of a new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazine‐1,3‐diium bis(4‐hydroxybenzenesulfonate) dihydrate, C3H8N62+·2C6H5O4S?·2H2O, are built up from doubly protonated melaminium(2+) residues, dissociated p‐phenolsulfonate anions and water molecules. The doubly protonated melaminium dication lies on a twofold axis. The hydroxyl group of the p‐hydroxybenzenesulfonate residue is roughly coplanar with the phenyl ring [dihedral angle 13 (2)°]. A combination of ionic and donor–acceptor hydrogen‐bond interactions link the melaminium and p‐hydroxybenzenesulfonate residues and the water molecules to form a three‐dimensional network. 相似文献
13.
Liang Shen 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):m128-m129
In the crystal structure of the title compound, [Mn(C3H2O4)(C10H8N2)(H2O)2], the MnII atom demonstrates a distorted octahedral geometry, being coordinated by two N atoms of a 2,2′‐bipyridine ligand, two O atoms from the carboxylate groups of the chelating malonate dianion and two O atoms of two cis water molecules. The complex molecules are linked to form a three‐dimensional supramolecular array by both hydrogen‐bonding interactions between coordinated water and the carboxylate groups of neighboring molecules and aromatic π–π‐stacking interactions of the bipyridine rings. 相似文献
14.
Srinivasulu Aitipamula Ashwini Nangia Ram Thaimattam Mariusz Jasklski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o481-o484
In tris(4‐hydroxyphenyl)methane (or 4,4′,4′′‐methanetriyltriphenol), C19H16O3, molecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxyphenyl)methane–4,4′‐bipyridine (1/1), C19H16O3·C10H8N2, trisphenol molecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bipyridine molecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure. 相似文献
15.
B. de Castro C. Freire M. Teresa Duarte M. F. Minas da Piedade I. C. Santos 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):370-372
In the title complex, trans‐{2,2′‐[cyclohexane‐1,2‐diylbis(nitrilomethylidyne)]diphenolato‐κ4O,N,N′,O′}nickel(II)–chloroform (1/1), [Ni(C20H20N2O2)]·CHCl3, the Ni atom has a square‐planar geometry, slightly tetrahedrally distorted. The Ni—N and Ni—O bonding distances are within the expected ranges for Ni–Schiff base derivatives. The diimine bridge has a gauche conformation with the cyclohexyl ring almost coplanar with the NiN2O2 plane. The complex molecules pack in dimers with an Ni?Ni distance of 3.59 (1) Å and form a three‐dimensional structure displaying a herring‐bone configuration. Channels are occupied by solvent molecules, which are involved in C—H?O hydrogen bonds with the ligand O atoms. 相似文献
16.
Peter D.W. Boyd Paul M. Johns Clifton E.F. Rickard 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m590-m593
The title compounds, [CuFe2(C5H5)2(C9H8O2)2], (I), and [CuFe4(C5H5)4(C13H9O2)2], (II), are four‐coordinate square‐planar copper(II) complexes with two bidentate 1‐ferrocenylbutane‐1,3‐dionate or 1,3‐diferrocenylpropane‐1,3‐dionate ligands, respectively. The copper ion in (I) lies on an inversion centre, with one‐half of the molecule in the asymmetric unit, while in (II), there are two independent half molecules in the asymmetric unit, with the copper ions also situated on inversion centres. The ferrocene substituents in (I) are in an anti arrangement. The molecules assemble in the crystal structure in layers with ferrocene groups at the surface. The pairs of ferrocene substituents on each ligand in complex (II) are syn and these adopt an anti arrangement with respect to the pair on the other diketonate ligand. As found in (I), complexes assemble in a layered structure with ferrocene‐coated surfaces. 相似文献
17.
Jan Janczak Ryszard Kubiak 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m237-m240
Isomorphous triclinic forms of dichloro[phthalocyaninato(2−)]tin(IV), [Sn(C32H16N8)Cl2], and dichloro[phthalocyaninato(2−)]germanium(IV), [Sn(C32H16N8)Cl2], and a monoclinic form of the latter have been obtained from the reaction of pure tin and germanium powder, respectively, with phthalonitrile under a stream of ICl vapour. All three crystal structures consist of centrosymmetric [SnPcCl2] and [GePcCl2] [Pc is phthalocyaninate(2−)] molecules, which are separated but interacting. In the triclinic forms (Sn and Ge), the Pc macrocycles are not staggered but slipped, and in the monoclinic form (Ge), the molecules are additionally inclined. In both cases, the central Sn or Ge atom is six‐coordinated by the four isoindole N atoms of the Pc macrocyclic ligand and by two Cl atoms (located trans) into a tetragonal–bipyramidal structure. The arrangement of [SnPcCl2] and [GePcCl2] molecules in the crystal structure is determined mainly by intermolecular C—H⃛Cl, π–π and van der Waals interactions. 相似文献
18.
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
19.
Juraj Kuchr Juraj ernk Werner Massa 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m418-m420
The title compound, bis[diaquabis(ethylenediamine‐κ2N,N′)copper(II)] hexacyanoiron(II) tetrahydrate, [Cu(C2H8N2)2(H2O)1.935]2[Fe(CN)6]·4H2O, was crystallized from an aqueous reaction mixture initially containing CuSO4, K3[Fe(CN)6] and ethylenediamine (en) in a 3:2:6 molar ratio. Its structure is ionic and is built up of two crystallographically different cations, viz. [Cu(en)2(H2O)2]2+ and [Cu(en)2(H2O)1.87]2+, there being a deficiency of aqua ligands in the latter, [Fe(CN)6]4− anions and disordered solvent water molecules. All the metal atoms lie on centres of inversion. The Cu atom is octahedrally coordinated by two chelate‐bonded en molecules [mean Cu—N = 2.016 (2) Å] in the equatorial plane, and by axial aqua ligands, showing very long distances due to the Jahn–Teller effect [mean Cu—O = 2.611 (2) Å]. In one of the cations, significant underoccupation of the O‐atom site is observed, correlated with the appearance of a non‐coordinated water molecule. This is interpreted as the partial contribution of a hydrate isomer. The [Fe(CN)6]4− anions form quite regular octahedra, with a mean Fe—C distance of 1.913 (2) Å. The dominant intermolecular interactions are cation–anion O—H⋯N hydrogen bonds and these interactions form layers parallel to (001). 相似文献
20.
G. Mazumder M. De S. K. Mazumder A. Mukhopadhyay A. K. Das A. Van Aerschot 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):560-561
The title compound, 9(R)‐[6(R)‐hydroxymethyl‐1‐oxa‐4‐thiacyclohexan‐2‐yl]‐1,9‐dihydro‐6H‐purin‐6‐one–water (4/3), C10H12N4O3S·0.75H2O, crystallizes in the triclinic space group P1 with four molecules in the asymmetric unit and 0.75 waters of hydration per molecule. The structure was refined to an R value of 0.072 for 3382 observed reflections. The four crystallographically independent molecules are designated A, B, C and D. All four oxathiane rings adopt the chair conformation and the purine bases are in an anti orientation with respect to the sugar moieties. Molecules A and D and molecules C and B are base paired by a single hydrogen bond of the type N—H?N. These base pairs are again hydrogen bonded to their translated pairs in the direction of a cell diagonal. 相似文献