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1.
Mohammad Hossein Habibi Shahram Tangestaninejad Abdollah Fallah‐Shojaie Iraj Mohammadpoor‐Baltork Reza Mokhtari Neil R. Brooks William Clegg 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m494-m495
The molecule of the title compound, [Hg(C13H9N2O2S)2], has approximate twofold rotation symmetry, with the Hg atom in an essentially linear two‐coordinate HgS2 environment supported by secondary π interactions with the nitrophenyl rings of both ligands. The ligands are in the imine–thiolate rather than the amine–thione tautomeric form. 相似文献
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Doris Y. Melgarejo Gina M. Chiarella John P. Fackler 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(8):m299-m301
The title compound, [Au(C7H7S)(C18H15P)], is conformationally chiral and crystallizes from benzene–hexane as individually enantiopure crystals. This mononuclear compound has the AuI atom linearly bound to a triphenylphosphine P atom and to a phenyl C atom of a 2‐(methylsulfanyl)phenyl group. The angle at the AuI atom is 175.9 (2)°. The linear ligand coordination about the AuI atom has geometric parameters inside the remarkably narrow range found for gold complexes bound by a phosphine ligand and by the ortho‐C atom of a substituted phenyl group. This is the first example of gold(I) attached to a methylsulfanyl aromatic carbanion. 相似文献
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Anthony Linden Teresa de Haro Cristina Nevado 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(1):m1-m3
The molecule of the title compound, [AuCl(C27H36N2)], which belongs to a class of potentially catalytically active N‐heterocyclic carbene complexes, has crystallographic C2 symmetry and approximate C2v symmetry. The structure is isostructural with the CuI and AgI analogues. A previous report of the structure of the title compound as its toluene solvate [Fructos et al. (2005). Angew. Chem. Int. Ed. 44 , 5284–5288] has inaccurate geometry for the complex molecule as a consequence of probable incorrect refinement in the space group Cc, instead of C2/c [Marsh (2009). Acta Cryst. B 65 , 782–783]. The Au—C bond length of 1.998 (4) Å in the title compound is more consistent with the mean distance of 1.979 (14) Å found in 52 other reported [AuCl(carbene)] complexes than with the shorter distance of 1.942 (3) Å given for the refinement in the space group Cc for the toluene solvate and the value of 1.939 Å obtained from the recalculation of that structure in C2/c. 相似文献
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Federico Jimnez‐Cruz Raúl Cetina‐Rosado Simn Hernndez‐Ortega Rubn Alfredo Toscano Hctor Ríos‐Olivares 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):868-869
The title compound, 2,9‐bis(3‐nitrophenyl)‐1‐azatricyclo[3.3.1.13,7]decan‐4‐one, C21H19N3O5, has a tricyclic structure. The torsion angles may be used to describe the relationship of the carbonyl group to the adjacent faces, whereby it is seen that the angles on the face of the arylpiperidinone side [122.0 (3) and ?122.0 (3)°] are greater than those on the cyclohexanone side [?119.8 (4) and 119.9 (4)°]. Although these differences may explain a facial selectivity during nucleophilic addition to the carbonyl group, the presence of the aryl rings is probably also important. 相似文献
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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
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Manfredo Hrner Vanessa Santana Carratu Regine Herbst‐Irmer Ccilia Maichle Mssmer Joachim Strhle 《无机化学与普通化学杂志》2003,629(2):219-222
The reaction of cadmium acetate in methanol with 1, 3‐bis(4‐nitrophenyl)triazene in THF in the presence of KOH yields K[Cd(O2NC6H4NNNC6H4NO2)3] in form of hexagonal prismatic, red crystals with the trigonal space group R3¯ and a = 12.229(2), c = 48.988(10) Å and Z = 6. In the anionic cadmium complexes, which are located along the threefold axis, the Cd atoms are coordinated in a trigonal prismatic arrangement by the atoms N(1) and N(3) of three triazenido ligands. The potassium cations are coordinated icosahedrally by oxygen atoms of each one nitro group of six neighbouring anionic complexes. The Cd‐N distances are 2.376(4) and 2.350(4) Å, and the K‐O distances are in the range of 2.833(6) to 3.365(6) Å. 相似文献
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Monika Kulcsar Anca Silvestru Florentina Cziple 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):o701-o703
The title compound, C18H24N2Se3, consists of discrete molecules; owing to the presence of strong intramolecular N...Se interactions [N...Se = 2.671 (4) and 2.873 (4) Å], the chalcogen Se atoms of the angular Se3 chain exhibit different coordination geometries, i.e. the terminal Se atoms are tricoordinated and exhibit a T‐shaped environment of the CNSe2 core [N...Se—Se = 173.73 (9) and 172.29 (9)°], while the central Se atom is dicoordinated to the other two Se atoms, with an Se—Se—Se angle of 108.32 (2)°. 相似文献
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Manfredo Hrner Leandro Bresolin Jairo Bordinhao Edmund Hartmann Joachim Strhle 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o426-o427
The structure of the title compound, C12H9N5O4, reveals an almost planar molecule (r.m.s. deviation = 0.061 Å), in which the interplanar angle between the phenyl rings is 5.7 (1)° and the largest interplanar angle is that between the phenyl ring and the nitro group of one of the 4‐nitrophenyl substituents [8.8 (3)°]. The observed molecular conformation suggests a delocalization of π‐electrons extended over the diazoamine group and the terminal aryl substituents. Intermolecular N—H⃛O interactions between the twofold screw‐related molecules give rise to helical chains along the [010] direction. Intermolecular C—H⃛O interactions then generate sheets of molecules in the (10) plane, and these sheets are held together by N⃛C and O⃛O π–π interactions. 相似文献
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Muharrem Diner Namk
zdemir Süleyman Gülcemal Bekir etinkaya 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):m228-m230
The title complex, [RhBr(C8H12)(C21H8N2F10)], has a slightly distorted pseudo‐square‐planar geometry. The whole molecule has an approximate mirror symmetry, with the mirror plane passing through the mid‐points of the two alkene bonds of the cycloocta‐1,5‐diene (COD) ligand. The average Rh—C(COD) distance is inversely related to the magnitude of the Rh—C(benzimidazole) distance in this type of compound. The molecules are stacked in columns running along the a axis. The crystal structure contains two types of intermolecular C—H...F interactions, as well as two weak π–π stacking interactions. 相似文献
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Manfredo Hrner Ivan C. Casagrande Jairo Bordinhao Ccilia M. Mssmer 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o193-o194
The crystal structure of the title compound, C12H7Br4N3, shows that the stereochemistry about the N=N double bond of the N=N—N(H) moiety is trans. The whole molecule deviates slightly from planarity (r.m.s. deviation 0.164 Å). While one of the aryl substituents is almost coplanar with the triazene chain, weak intermolecular Br?C contacts cause the second aryl substituent to deviate by an angle of 9.1 (8)° from the plane defined by the N=N—N group. Weak intermolecular N—H?Br interactions between molecules related by the diagonal glide plane give rise to chains, which are stacked along the [100] crystallographic direction. An unequal distribution of double‐bond character between the N atoms suggests a delocalization of π electrons over the diazoamino group and the adjacent aryl groups. 相似文献
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Ernesto Schulz Lang Robert Alan Burrow Lenice de Loureno Marques 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):m95-m96
The title compound, [Au(C10H9N4O2S)(C18H15P)], is nearly linear at AuI, with Au—N = 2.0707 (18) Å, Au—P = 2.2310 (8) Å and N—Au—P 171.93 (5)°. The molecules are linked by intermolecular N—H⃛O bonds. 相似文献
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By reaction of GeI4, [N(nBu)4]I as iodide donor, and [NMe(nBu)3][N(Tf)2] as ionic liquid, reddish‐black, plate‐like shaped crystals are obtained. X‐ray diffraction analysis of single crystals resulted in the compositions ;alpha;‐[NMe(nBu)3](GeI4)I (Pbca; a = 1495.4(3) pm; b = 1940.6(4) pm; c = 3643.2(7) pm; Z = 16) and β‐[NMe(nBu)3](GeI4)I (Pn; a = 1141.5(2) pm; b = 953.6(2) pm; c = 1208.9(2) pm; β = 100.8(1)°; Z = 2). Depending on the reaction temperature, the one or other compound is formed selectively. In addition, the reaction of GeI4 and [N(nBu)4]I, using [ImMe(nBu)][BF4] (Im = imidazole) as ionic liquid, resulted in the crystallization of [ImMe(nBu)][N(nBu)4](GeI4)3I2 (P21/c; a = 1641.2(3) pm; b = 1903.0(4) pm; c = 1867.7(4) pm; β = 92.0(1)°; Z = 4). The anionic network of all three compounds is established by molecular germanium(IV)iodide, which is bridged by iodide anions. The different connectivity of (GeI4–I–) networks is attributed to the flexibility of I– regarding its coordination and bond length. Here, a [3+1]‐, 4‐ and 5‐fold coordination is first observed in the pseudo‐ternary system M/Ge/I (M: cation). 相似文献
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Henrik Birkedal Philip Pattison 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):o139-o141
The crystal structure of the title Schiff base {systematic name: 2,2′‐[methylenedi‐p‐phenylenebis(nitrilomethylidyne)]diphenol}, C27H22N2O2, consists of intramolecularly hydrogen‐bonded molecules interlinked by C—H⋯O hydrogen bonds [C⋯O = 3.426 (2) Å and C—H⋯O = 152.7 (17)°]. The molecule is in the enol form and is located on a twofold axis. The central methane C atom of the diphenylmethane motif is displaced from the aromatic ring planes. This effect is compared with previous results, which display an inverse correlation between the out‐of‐plane displacement and the C—C—C angle around the central methane C atom. In the title compound, the displacement is 0.124 (2) Å and the C—C—C angle is 110.18 (19)°. 相似文献
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Tuncer Hkelek Selen Bilge emsay Demiriz Bilgehan
zgü Zeynel Kl 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o803-o805
The title compound {systematic name: 2,2′‐[1,3‐propanediyldioxydi‐o‐phenylenebis(nitrilomethylidyne)]diphenol}, C29H26N2O4, exists as the phenol–imine form in the crystal, and there are strong intramolecular O—H⋯N hydrogen bonds, with O⋯N distances of 2.545 (2) and 2.579 (2) Å. The C=N imine bond distances are in the range 1.276 (2)–1.279 (2) Å and the C=N—C bond angles are in the range 123.05 (16)–124.64 (17)°. The configurations about the C=N bonds are anti (1E). 相似文献
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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