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1.
En Tang Yu‐Mei Dai Shen Lin 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):m433-m434
The title compound, [Zn(C8H5O4)2(C10H8N2)2], was obtained by the hydrothermal reaction of ZnSO4·7H2O with phthalic acid (H2pht) and 4,4′‐bipyridine (4,4′‐bipy). Crystallographic analysis shows that it has a one‐dimensional double‐chain structure via hydrogen‐bonding interactions. Each ZnII atom, adopting a distorted tetrahedral geometry, is coordinated by two N atoms from two 4,4′‐bipy ligands, with Zn—N distances of 2.054 (4) and 2.104 (4) Å, and by two O atoms from symmetry‐related Hpht− ligands, with Zn—O distances of 1.921 (4) and 2.019 (4) Å. 相似文献
2.
Wei Sun Yan‐Tuan Li Zhi‐Yong Wu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m177-m180
The title compound, [Co(C4H4O5)(C6H6N4S2)(H2O)]·3H2O, displays a distorted octahedral coordination geometry. The tridentate oxydiacetate dianion chelates the CuII atom in the meridional mode. In the crystal packing, hydrophilic and hydrophobic layers are arranged in an alternating manner. In addition, a three‐dimensional hydrogen‐bonding framework and π–π stacking are present. 相似文献
3.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o78-o80
(Z)‐3‐(1H‐Indol‐3‐yl)‐2‐(3‐thienyl)acrylonitrile, C15H10N2S, (I), and (Z)‐3‐[1‐(4‐tert‐butylbenzyl)‐1H‐indol‐3‐yl]‐2‐(3‐thienyl)acrylonitrile, C26H24N2S, (II), were prepared by base‐catalyzed reactions of the corresponding indole‐3‐carboxaldehyde with thiophene‐3‐acetonitrile. 1H/13C NMR spectral data and X‐ray crystal structures of compounds (I) and (II) are presented. The olefinic bond connecting the indole and thiophene moieties has Z geometry in both cases, and the molecules crystallize in space groups P21/c and C2/c for (I) and (II), respectively. Slight thienyl ring‐flip disorder (ca 5.6%) was observed and modeled for (I). 相似文献
4.
Janet M. S. Skakle Marcus V. D. Rangel e Silva James L. Wardell Solange M. S. V. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m413-m415
The title compound, [Cu(C2H3N)2(C10H24N4)](C32H12BF24)2·0.31H2O, crystallizes as an ionic species with no interactions between the ions. The [CuII(cyclam)(MeCN)2]2+ dication (cyclam is 1,4,8,11‐tetraazatetradecane), located on a 2/m symmetry site, forms as a distorted octahedral species with four Cu—Ncyclam bonds of 2.013 (2) Å and two C—NMeCN bonds of 2.499 (4) Å. The [B{C6H3(CF3)‐3,5}4]− anion, located on a twofold axis, is a distorted octahedral species. A small amount of water is present, occupying sites between columns of ions. 相似文献
5.
2, 4‐Dimethylpenta‐1, 3‐diene and 2, 4‐Dimethylpentadienyl Complexes of Rhodium and Iridium The complexes [(η4‐C7H12)RhCl]2 ( 1 ) (C7H12 = 2, 4‐dimethylpenta‐1, 3‐diene) and [(η4‐C7H12)2IrCl] ( 2 ) were obtained by interaction of C7H12 with [(η2‐C2H4)2RhCl]2 and [(η2‐cyclooctene)2IrCl]2, respectively. The reaction of 1 or 2 with CpTl (Cp = η5‐C5H5) yields the compounds [CpM(η4‐C7H12)] ( 3a : M = Rh; 3b : M = Ir). The hydride abstraction at the pentadiene ligand of 3a , b with Ph3CBF4 proceeds differently depending on the solvent. In acetone or THF the “half‐open” metallocenium complexes [CpM(η5‐C7H11)]BF4 ( 4a : M = Rh; 4b : M = Ir) are obtained exclusively. In dichloromethane mixtures are produced which additionally contain the species [(η5‐C7H11)M(η5‐C5H4CPh3)]BF4 ( 5a : M = Rh; 5b : M = Ir) formed by electrophilic substitution at the Cp ring, as well as the η3‐2, 4‐dimethylpentenyl compound [(η3‐C7H13)Rh{η5‐C5H3(CPh3)2}]BF4 ( 6 ). By interaction of 2, 4‐dimethylpentadienyl potassium with 1 or 2 the complexes [(η4‐C7H12)M(η5‐C7H11)] ( 7a : M = Rh; 7b : M = Ir) are generated which show dynamic behaviour in solution; however, attempts to synthesize the “open” metallocenium cations [(η5‐C7H11)2M]+ by hydride abstraction from 7a , b failed. The new compounds were characterized by elemental analysis and spectroscopically, 4b and 5a also by X‐ray structure analysis. 相似文献
6.
Shusheng Zhang Zhongwei Wang Ming Li Kui Jiao Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):566-568
In both the title structures, O‐ethyl N‐(2,3,4,6‐tetra‐O‐acetyl‐β‐d ‐glucopyranosyl)thiocarbamate, C17H25NO10S, and O‐methyl N‐(2,3,4,6‐tetra‐O‐acetyl‐β‐d ‐glucopyranosyl)thiocarbamate, C16H23NO10S, the hexopyranosyl ring adopts the 4C1 conformation. All the ring substituents are in equatorial positions. The acetoxymethyl group is in a gauche–gauche conformation. The S atom is in a synperiplanar conformation, while the C—N—C—O linkage is antiperiplanar. N—H?O intermolecular hydrogen bonds link the molecules into infinite chains and these are connected by C—H?O interactions. 相似文献
7.
Jianjiang Lu Almaz S. Jalilov Jay K. Kochi 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(5):o226-o228
Crystallization of N,N′‐dimethylpyrazinediium bis(tetrafluoroborate), C6H10N22+·2BF4−, (I), and N,N′‐diethylpyrazinediium bis(tetrafluoroborate), C8H14N22+·2BF4−, (II), from dried acetonitrile under argon protection has permitted their single‐crystal studies. In both crystal structures, the pyrazinediium dications are located about an inversion center (located at the ring center) and each pyrazinediium aromatic ring is π‐bonded to two centrosymmetrically related BF4− anions. Strong anion–π interactions, as well as weak C—H...F hydrogen bonds, between BF4− and pyrazinediium ions are present in both salts. 相似文献
8.
Kenneth W. Muir David G. Morris Karl S. Ryder Anastassios Varvoglis 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o376-o377
The title disulfonyl‐stabilized pyridinium ylide, C5H5N+–C−(SO2C6H5)2 or C18H15NO4S2, contains a near planar NCS2 core. The structure suggests that the formal negative charge of the ylide C atom is delocalized to the S atoms rather than the N atom. Structural features of pyridinium ylides are briefly discussed. 相似文献
9.
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
10.
Mireille Perec Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(11):m339-m342
In the monomeric title compound, [Cu(C4H4O5)(C6H6N2O)(H2O)]·1.5H2O, the CuII cation is bound in a square‐pyramidal coordination to a tridentate oxydiacetate (ODA) ligand, a monodentate pyridine‐3‐carboxamide (p3ca) ligand and one aqua ligand, where the two organic ligands form the basal plane and the water O atom occupies the unique apical site. The ODA ligand presents a slight out‐of‐plane puckering in its central ether O atom, while the p3ca ligand is essentially planar. The availability of efficient donors and acceptors for hydrogen bonding results in the formation of strongly linked hydrogen‐bonded bilayers parallel to (101), with an interplanar distance of 3.18 (1) Å and a stacking separation between the bilayers of 3.10 (1) Å, both of them governed by extended π–π interactions. The disordered nature of the solvent water molecules around inversion centres is discussed. The monoaqua compound is compared with the octahedral diaqua analogue, [Cu(C4H4O5)(C6H6N2O)(H2O)2], reported recently [Perec & Baggio (2009). Acta Cryst. C 65 , m296–m298]. 相似文献
11.
Paulraj Danielraj Babu Varghese S. Sankararaman 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(12):m366-m370
In the tridentate ligand 2,6‐bis(1‐benzyl‐1H‐1,2,3‐triazol‐4‐yl)pyridine, C23H19N7, both sets of triazole N atoms are anti with respect to the pyridine N atom, while in the copper complex aqua[2,6‐bis(1‐benzyl‐1H‐1,2,3‐triazol‐4‐yl)pyridine](pyridine)(tetrafluoroborato)copper(II) tetrafluoroborate, [Cu(BF4)(C5H5N)(C23H19N7)(H2O)]BF4, the triazole N atoms are in the syn–syn conformation. The coordination of the CuII atom is distorted octahedral. The ligand structure is stabilized through intermolecular C—H...N interactions, while the crystal structure of the Cu complex is stabilized through water‐ and BF4‐mediated hydrogen bonds. Photoluminiscence studies of the ligand and complex show that the ligand is fluorescent due to triazole–pyridine conjugation, but that the fluorescence is quenched on complexation. 相似文献
12.
Mireille Perec Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(8):m296-m298
In the mononuclear title compound, [Cu(C4H4O5)(C6H6N2O)(H2O)2], the CuII centre is bound to a chelating oxydiacetate ligand, a monodentate pyridine‐3‐carboxamide unit and two water molecules, defining an octahedral coordination where the first two ligands form the equatorial plane and the last two occupy the apical sites. The planar oxydiacetate ligand is slightly disordered at its central ether O atom. The availability of efficient donors and acceptors for hydrogen bonding results in a complex interaction scheme where each monomer links to six similar units to define a well connected three‐dimensional structure. A comparison is made with related structures in the literature, and the reasons for their differences are discussed. 相似文献
13.
Kanidtha Hansongnern Uraiwan Saeteaw Jack Cheng Fen‐Ling Liao Tian‐Huey Lu 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):895-896
The Ru—N bond distances in the title complex, [Ru(NO2)(C11H9N3)(C15H11N3)]BF4 or [Ru(NO2)(tpy)(azpy)]BF4, [tpy is 2,2′:6′,2′′‐terpyridine and azpy is 2‐(phenylazo)pyridine], are Ru—Npy 2.063 (4), Ru—Nazo 2.036 (4), Ru—Nnitro 2.066 (3) Å, and Ru—Ntpy 2.082 (4), 1.982 (3) and 2.074 (4) Å. The azo N atom is trans to the nitro group. The azo N=N bond length is 1.265 (5) Å, which is the shortest found in such complexes to date. This indicates a multiple bond between Ru and the N atom of the nitro group, and π‐backbonding [dπ(Ru) π*(azo)] is decreased. 相似文献
14.
Vijayakumar N. Sonar M. Venkatraj Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):o493-o495
The asymmetric unit of the racemic form of the title compound, C12H15NOS, contains four crystallographically independent molecules. The olefinic bond connecting the 2‐thienyl and 1‐azabicyclo[2.2.2]octan‐3‐ol moieties has Z geometry. Strong hydrogen bonding occurs in a directed co‐operative O—H...O—H...O—H...O—H R44(8) pattern that influences the conformation of the molecules. Co‐operative C—H...π interactions between thienyl rings are also present. The average dihedral angle between adjacent thienyl rings is 87.09 (4)°. 相似文献
15.
Mohamed Ghazzali Vratislav Langer Lars
hrstrm Morsy Abu‐Youssef 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):o312-o314
In the crystal structures of the title compounds, C12H12N42+·2BF4−, (I), and C12H11N4+·ClO4−, (II), respectively, infinite two‐ and one‐dimensional architectures are built up via N—H...F [in (I)] and conventional N—H...N [in (II)] hydrogen bonding. The N—N single bond in (I) lies on a crystallographic centre of symmetry; as a result, the two pyridinium rings are parallel. In (II), the pyridinium and pyridyl ring planes are inclined with a dihedral angle of 14.45 (3)°. 相似文献
16.
Qian Qiao Guo‐Qiang Wu Tian‐Di Tang Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(4):m146-m148
In the title PbII coordination polymer, [Pb(C16H10O4)(C14H8N4)(C3H7NO)]n, each PbII atom is eight‐coordinated by two chelating N atoms from one pyrazino[2,3‐f][1,10]phenanthroline (L) ligand, one dimethylformamide (DMF) O atom and five carboxylate O atoms from three different 4,4′‐ethylenedibenzoate (eedb) ligands. The eedb dianions bridge neighbouring PbII centres through four typical Pb—O bonds and one longer Pb—O interaction to form a two‐dimensional structure. The C atoms from the L and eedb ligands form C—H...O hydrogen bonds with the O atoms of eedb and DMF ligands, which further stabilize the structure. The title compound is the first PbII coordination polymer incorporating the L ligand. 相似文献
17.
Fiona Brady John F. Gallagher 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1407-1410
The title compound, C17H15NO4, derived from l ‐tyrosine, crystallizes with three independent molecules which differ in the conformation of the asymmetric unit: the N—C—C—Cipso torsion angles are ?71.7 (5), ?63.6 (6) and ?52.5 (5)°, respectively. Deformations in the phenol ring hydroxy O—C—C angles of 116.5 (4)/123.9 (4), 121.7 (5)/118.1 (4) and 122.4 (5)/118.6 (5)°, respectively, result from their respective intermolecular hydrogen‐bonding environments. Intermolecular Oacid—H?O=Cindole, Ophenol—H?O—Hphenol and Ophenol—H?O=Cindole hydrogen bonds, with O?O distances in the range 2.607 (4)–2.809 (4) Å, are present in combination with C—H?O and C—H?πarene interactions. The primary hydrogen‐bonding systems assemble with graph sets R33(8) and R32(22). 相似文献
18.
Huan‐Yu Wang Li‐Hua Huo Shan Gao Jing‐Gui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m65-m67
In the title complex, {[Mn(C4O4)(C10H8N2)(H2O)]·H2O}n, each MnII ion has a distorted octahedral coordination formed by two N atoms of a 2,2′‐bipyridine ligand, three carboxyl O atoms of three different acetylenedicarboxylate ligands and one coordinated water molecule. The acetylenedicarboxylate ligands act in a tridentate mode connecting adjacent MnII ions and constructing a two‐dimensional structure which can be regarded as an unusual plywood‐like stacked network. 相似文献
19.
Hai‐Rong Wang Chao‐Hui Xia Guo‐Ting Li 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(11):m303-m305
In the title compound, {[Tb(C12H8NO2)3(H2O)2]·H2O}n, the TbIII cation is in an eight‐coordinate environment, ligated by six carboxylate O atoms from five 3‐(pyridin‐4‐yl)benzoate (L) ligands and by two O atoms from water molecules. The cations are bridged by the carboxylate O atoms of the L ligands to form a two‐stranded polymeric chain which is assembled into a three‐dimensional supramolecular network through regular interchain O—H...N hydrogen bonding. On excitation at 320 nm, the title compound displays a series of emissions, which were assigned to the characteristic electronic transitions of TbIII. 相似文献
20.
Ana María Atria Mauricio Morel Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(1):m17-m21
The structure of the ionic title compound, (C5H7N6)2[Nd2(C5O5)4(H2O)8], consists of anionic dimers built around an inversion centre and is made up of an NdIII cation, two croconate (croco) dianions and four water molecules (plus their inversion images), with two noncoordinated symmetry‐related 2,6‐diamino‐1H‐purin‐3‐ium (Hdap+) cations providing charge balance. Each NdIII atom is bound to nine O atoms from four water and three croco units. The coordination polyhedron has the form of a rather regular monocapped square antiprism. The croconate anions are regular and the Hdap+ cation presents a unique, thus far unreported, protonation state. The abundance of hydrogen‐bonding donors and acceptors gives rise to a complex packing scheme consisting of dimers interlinked along the three crystallographic directions and defining anionic `cages' where the unbound Hdap+ cations lodge, linking to the mainframe via (N—H)Hdap...Owater/croco and (O—H)water...NHdap interactions. 相似文献