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author:("Jin, qing-Hua")
1.  6-Nitro-1,3-benzothia­zole-2(3H)-thione 
In the title mol­ecule, C7H4N2O2S2, the nitro group is twisted by 5.5 (1)° from the plane of the attached benzene ring. In the crystal, N—H⋯S hydrogen bonds link pairs of mol­ecules into inversion dimers, which are linked by weak C—H⋯O inter­actions into sheets parallel to (101). The crystal packing exhibits short inter­molecular S⋯O contacts of 3.054 (4) Å and π–π inter­actions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring mol­ecules.
doi:10.1107/S1600536812049719
PMCID: PMC3569234  PMID: 23424457
2.  4,4′-Bipyridine-1,1′-diium bis­(1,3-benzo­thia­zole-2-thiol­ate) 
In the title salt, C10H10N2 2+·2C7H4NS2 −, the complete 4,4′-bipyridine-1,1′-diium dication is generated by a center of symmetry. In the crystal, N—H⋯N hydrogen bonds are observed between the cations and anions.
doi:10.1107/S1600536812047058
PMCID: PMC3589027  PMID: 23476263
3.  4,4′-Bipyridine–3,3′-disulfanediyl­bis­(1H-1,2,4-triazole-5-amine) (1/1) 
In the title 1:1 adduct, C10H8N2·C4H6N8S2·, the components are connected through N—H⋯N hydrogen bonds, leading to a two-dimensional structure. The C—S—S—C torsion angle is −83.6 (1)°. The dihedral angle between pyridine rings is 1.86 (15)°.
doi:10.1107/S1600536812042742
PMCID: PMC3515285  PMID: 23284505
4.  [Bis[μ-bis­(diphenyl­phosphino)methane-1:2κ2 P:P′]-bis­(nitrito-κ2 O,O′)]disilver(I) acetonitrile disolvate 
The title complex, [Ag2(NO2)2(C25H22P2)2]·2CH3CN, is a centrosymmetric dimer in which two bis(diphenylphosphino)methane ligands bridge two Ag+ ions, forming an eight-membered ring with a short Ag⋯Ag separation of 3.1809 (5) Å. The distorted P2O2 coordination of the cation is completed by two O-donors from a symmetric bidentate chelate NO2 − anion [Ag—O = 2.550 (3) and 2.567 (3) Å].
doi:10.1107/S1600536812041931
PMCID: PMC3515120  PMID: 23284347
5.  Iodido[5-methyl-1H-benzimidazole-2(3H)-thione-κS]bis­(triphenyl­phosphane-κP)copper(I) methanol monosolvate 
In the title compound, [CuI(C8H8N2S)(C18H15P)2]·CH3OH, the coordination environment around the CuI atom is distorted tetra­hedral, defined by two P atoms of two triphenyl­phosphane ligands, one S atom of a 5-methyl-1H-benzimidazole-2(3H)-thione ligand and one I atom. The complex mol­ecules and the methanol solvent mol­ecules are connected via N—H⋯O and O—H⋯I hydrogen bonds, forming a chain along [010]. An intra­molecular N—H⋯I hydrogen bond is also observed.
doi:10.1107/S1600536812039165
PMCID: PMC3470167  PMID: 23125611
6.  3-Amino-1H-1,2,4-triazole-5(4H)-thione–4,4′-bipyridine (1/1) 
The title two-component mol­ecular crystal, C10H8N2·C2H4N4S, was obtained unexpectedly by reaction of Zn(NO3)2·6H2O, NH4BF4 with 3-amino-1,2,4-triazole-5-thione (3-AMT) and 4,4′-bipyridine in water. The dihedral angle between the pyridine rings in the 4,4′-bipyridine molecule is 17.00 (13)°. In the crystal, N—H⋯N and N—H⋯S hydrogen bonds between the components lead to the formation of a three-dimensional network. Furthermore, the structure features face-to-face π–π stacking inter­actions between the 4,4′-bipyridine and triazole rings, with a centroid–centroid distance of 2.976 (2) Å.
doi:10.1107/S1600536812037671
PMCID: PMC3470238  PMID: 23125682
7.  Tetra­kis(triphenyl­phosphane-κP)silver(I) tetra­fluorido­borate 
The title complex, [Ag(C18H15P)4]BF4, was prepared by the reaction of silver(I) tetra­fluorido­borate and triphenyl­phosphane in the presence of 1,2-bis­(pyridin-2-yl)ethyl­ene. The AgI atom is tetra­hedrally coordinated by four P atoms from triphenyl­phosphane (PPh3) ligands. Due to symmetry, the tetra­fluorido­borate anion is disordered over three positions (each with one third occupancy). The tetra­fluorido­borate anion does not coordinate to the AgI atom.
doi:10.1107/S1600536812018247
PMCID: PMC3344421  PMID: 22590183
8.  catena-Poly[[(isoquinoline-κN)(triphenylphospane-κP)copper(I)]-μ-thio­cyanato-κ2 N:S] 
In the title coordination compound, [Cu(NCS)(C9H7N)(C18H15P)]n, the CuI atom is tetra­hedrally coordinated by one N atom from an isoquinoline ligand, one P atom from a triphenyl­phospane ligand, and one N and one S atom from two thio­cyanate anions. The thio­cyanide anions bridge the CuI atoms into a chain along [100]. π–π inter­actions between the pyridine and benzene rings of the isoquinoline ligands connect the chains [centroid-to-centroid distance = 3.722 (3) Å].
doi:10.1107/S1600536812004837
PMCID: PMC3297240  PMID: 22412430
9.  5,6-Dimethyl-1,2,4-triazin-3-amine 
In the crystal structure of the title compound, C5H8N4, adjacent mol­ecules are connected through N—H⋯N hydrogen bonds, resulting in a zigzag chain along [100]. The amino groups and heterocyclic N atoms are involved in further N—H⋯N hydrogen bonds, forming R 2 2(8) motifs.
doi:10.1107/S1600536811051920
PMCID: PMC3254400  PMID: 22259542
10.  [1,3-Bis(diphenyl­phosphan­yl)propane-κ2 P,P′](1,10-phenanthroline-κ2 N,N′)copper(I) perchlorate 
The title compound, [Cu(C12H8N2)(C27H26P2)]ClO4, crystallizes with two CuI complex cations and two perchlorate anions in the asymmetric unit. Each CuI cation is four-coordinated by two P atoms of a 1,3-bis­(diphenyl­phosphan­yl)propane mol­ecule and two N atoms of a 1,10-phenanthroline ligand, with a coordination geometry that can be considered as distorted tetra­hedral. The crystal studied was twinned with a twin ratio of 0.786 (2):0.214 (2).
doi:10.1107/S160053681104606X
PMCID: PMC3238633  PMID: 22199524
11.  An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile 
The title compound, C16H6N6, is a polymorph of the previously reported structure [Kozlov & Goldberg (2008 ▶). Acta Cryst. C64, o498–o501]. Unlike the previously reported monoclinic polymorph (space group P21/c, Z = 8), the title compound reveals ortho­rhom­bic symmetry (space group Pnma, Z = 4). The mol­ecule shows crystallographic mirror symmetry, while the previously reported structure exhibits two independent mol­ecules per asymmetric unit. In the title compound, adjacent mol­ecules are essentially parallel along the c axis and tend to be vertical along the b axis with dihedral angles of 72.02 (6)°. However, in the reported polymorph, the entire crystal structure shows an anti­parallel arrangement of adjacent columns related by inversion centers and the two independent mol­ecules are nearly parallel with a dihedral angle of 2.48 (6)°.
doi:10.1107/S1600536811047039
PMCID: PMC3238907  PMID: 22199760
12.  Tris(2,2′-bi-1H-imidazole-κ2 N 3,N 3′)­nickel(II) dinitrate N,N-dimethyl­formamide monosolvate 
The reaction of nickel salts and 4,4′-bipyridine with 2,2′-bi­imidazole (H2biim) yielded the title complex, [Ni(C6H6N4)3](NO3)2·C3H7NO. The NiII atom is chelated by three H2biim ligands in a distorted octa­hedral coordination geometry. The two nitrate anions and one dimethyl­formamide (DMF) mol­ecule are not coordinated. The compound has a three-dimensional structure, formed by extensive hydrogen bonding between [Ni(H2biim)3]2+ cations and nitrate anions, each nitrate anion forming hydrogen bonds with an R 1 2(4) motif. The DMF molecule is disordered over three sets of sites, with occupancy ratios of 0.341 (16):0.350 (17):0.309 (19).
doi:10.1107/S1600536811043030
PMCID: PMC3247001  PMID: 22219821
13.  Tris(3-amino-5,6-dimethyl-1,2,4-triazine-κN 2)silver(I) trifluromethane­sulfonate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) 
The asymmetric unit of the title compound, [Ag(C5H8N4)3](CF3O3S)·C5H8N4, contains two cations, two anions and two uncoordinated 3-amino-5,6-dimethyl-1,2,4-triazine (admt) ligands. It was prepared from the reaction of silver trifluoro­methane­sulfonate and admt in a 2:3 molar ratio. Both silver(I) ions are bonded to three admt mol­ecules via their 2-position triazine N atoms in almost regular trigonal–planar geometries. Three intra­molecular N—H⋯N hydrogen bonds between adjacent admt mol­ecules in each cation help to maintain their overall near planarities (r.m.s. deviations for the 28 non-H atoms = 0.139 and 0.153 Å). In the crystal, numerous N—H⋯N, N—H⋯O, C—H⋯O, C—H⋯N and C—H⋯F hydrogen-bonding interactions link the components into a three-dimensional network.
doi:10.1107/S1600536811040748
PMCID: PMC3246953  PMID: 22219773
14.  Poly[bis­[μ-1,3-bis­(diphenyl­phosphan­yl)propane-κ2 P:P′]-di-μ-thio­cyanato-κ2 S:N;κ2 N:S-disilver(I)] 
In the title coordination polymer, [Ag2(NCS)2(C27H26P2)2]n, two centrosymmetrically related Ag+ cations are linked by two thio­cyanate anions into binuclear eight-membered macrocycles. The Ag⋯Ag separation within the macrocycle is 5.4400 (6) Å. The distorted tetra­hedral coordination about each metal atom is completed by the P atoms of two bridging 1,3-bis­(diphenyl­phosphan­yl)propane ligands, forming polymeric ribbons parallel to the a axis.
doi:10.1107/S1600536811041250
PMCID: PMC3246955  PMID: 22219775
15.  Tetra­kis(triphenyl­phosphane-κP)silver(I) trifluoro­methane­sulfonate dichloro­methane monosolvate 
In the title compound, [Ag(C18H15P)4]CF3O3S·CH2Cl2, the Ag atom is coordinated by four P atoms from four PPh3 ligands. The P—Ag—P angles are in the range 108.02 (6)–110.15 (6)°, which confirms the distorted tetra­hedral environment around the Ag atom.
doi:10.1107/S1600536811040670
PMCID: PMC3246931  PMID: 22219751
16.  catena-Poly[silver(I)-bis­[μ-bis­(diphenyl­phosphino)methane-κ2 P:P′]-μ-thio­cyanato-κ2 S:S-silver(I)-μ-thio­cyanato-κ2 S:N] 
The title compound, [Ag(NCS)(C25H22P2)]n, contains two Ag+ ions, two thio­cyanate ions and two bis­(diphenyl­phosphino)methane (dppm) ligands in the asymmetric unit. One of the thiocyanate ions bridges the two Ag+ ions in a μ2-mode from its S atom and the two dppm ligands bridge the silver ions in a μ1,μ1 mode. The remaining SCN− ion bridges the binuclear units via its N and S atoms, generating a one-dimensional polymer propagating in [01]: the resulting AgP2SN and AgP2S2 coordination geometries could be described as distorted tetra­hedral.
doi:10.1107/S1600536810035622
PMCID: PMC2983356  PMID: 21587389
17.  A tetra­silver(I)ditungsten(VI) cluster with sulfide and bis­(diphenyl­phosphino)methane ligands 
The asymmetric unit of the title complex, [Ag4W2S8(C25H22P2)3]·2C3H7NO, tris­[μ2-bis­(diphenyl­phosphino)meth­ane]-3:6κ2 P:P′;4:5κ2 P:P′;5:6κ2 P:P′-μ5-sulfido-2:3:4:5:6κ5 S-μ3-sulfido-1:3:4κ3 S-tetra-μ2-sulfido-1:3κ2 S;1:4κ2 S;2:5κ2 S;2:6κ2 S-disulfido-1κS,2κS-tetra­silver(I)ditungsten(VI) N,N-dimethyl­formamide disolvate, contains two [WS4]2− anions, four silver cations, three bidentate–bridging bis­(diphenyl­phosphino)methane (dppm) ligands and two N,N-dimethyl­formamide (DMF) solvent mol­ecules. The coordination geometry of each Ag atom is distorted tetra­hedral. Two Ag ions are coordinated by μ2-S and μ5-S atoms, and by two P atoms from two dppm ligands, while the other two Ag atoms are coordinated by μ2-S, μ3-S and μ5-S atoms, and by one P atom from a dppm ligand.
doi:10.1107/S1600536810034197
PMCID: PMC2983208  PMID: 21587351
18.  Bis(2,2′-bi-1H-imidazole-κ2 N 3,N 3′)bis­(dimethyl sulfoxide-κO)copper(II) bis­(tetra­fluoridoborate) 
In the title copper(II) salt, [Cu(C6H6N4)2(C2H6OS)2](BF4)2, the Jahn–Teller distorted octa­hedral coordination sphere of copper is formed from four 2,2′-bi-1H-imidazole N atoms and two dimethyl sulfoxide O atoms. The Cu atom lies on a center of inversion. N—H⋯O and N—H⋯F hydrogen bonds give rise to a one-dimensional structure. The BF4 − anion is disordered over two sites in a 0.671 (10):0.329 (10) ratio.
doi:10.1107/S1600536810031922
PMCID: PMC3008059  PMID: 21588528
19.  [μ-1,2-Bis(diphenyl­phosphino)ethane-κ2 P:P′]bis­{[1,2-bis­(diphenyl­phosphino)ethane-κ2 P,P′]cyanidocopper(I)} methanol disolvate 
The title centrosymmetric complex, [Cu2(CN)2(C26H24P2)3]·2CH3OH, consists of two five-membered [Cu(dppe)CN] rings [dppe is 1,2-bis­(diphenyl­phosphino)ethane] bridged by one μ2-dppe ligand, and two methanol solvent mol­ecules. The angles around the central metal atom indicate that each CuI atom is located in the center of a distorted tetra­hedron. The coordination sphere of each CuI atom is formed by three P atoms from two dppe ligands, and one C atom from the cyanide ligand. The crystal structure is stabilized by O—H⋯N hydrogen bonds, which are formed by the O—H donor group from methanol and the N-atom acceptor from a cyanide ligand.
doi:10.1107/S1600536810029545
PMCID: PMC3007356  PMID: 21588106
20.  (Methanol-κO)(perchlorato-κO)bis­(triphenyl­phosphine-κP)silver(I) 
In the title complex, [Ag(ClO4)(CH3OH)(C18H15P)2], the angles around the central Ag+ ion indicate that it is in a distorted tetrahedral coordination. The coordination sphere of silver is formed by two P atoms of two triphenyl­phosphine ligands, one O atom of a perchlorate anion and one O atom of a methanol mol­ecule. The crystal structure is stablized by a bifurcated inter­molecular O—H⋯O hydrogen bond, involving the O—H donor from methanol and two acceptor O atoms from the perchlorate anion, so forming a zigzag chain propagating in [010].
doi:10.1107/S160053681002814X
PMCID: PMC3007358  PMID: 21588194
21.  Tetra­aqua­(1,10-phenanthroline-κ2 N,N′)cadmium(II) sulfate dihydrate 
In the title mononuclear complex, [Cd(C12H8N2)(H2O)4]SO4·2H2O, the coordination geometry around the CdII atom is a distorted octa­hedron, with two aqua ligands occupying the axial positions. Inter­molecular O—H⋯O hydrogen bonds lead to the formation of a two-dimensional layer structure parallel to (001). The layers are connected by π–π inter­actions between the pyridyl and benzene rings of the phenanthroline ligands [centroid–centroid distances = 3.591 (1) and 3.610 (1) Å].
doi:10.1107/S1600536810028175
PMCID: PMC3007401  PMID: 21588195
22.  (Perchlorato-κO)tris­(triphenyl­phosphine-κP)silver(I) 
In the title complex, [Ag(C18H15P)3(ClO4)], the silver coord­ination environment is dominated by the distorted P3AgO tetra­hedron in which Ag—O = 2.608 (12) Å and the Ag—P bond lengths are 2.5663 (17), 2.5076(16) and 2.5450 (17) Å. The perchlorate O-atoms are disordered over two positions in a 0.584 (14):0.416 (14) ratio.
doi:10.1107/S1600536810025171
PMCID: PMC3007391  PMID: 21588119
23.  (1,10-Phenanthroline-κ2 N,N′)(triphenyl­phosphine-κP)silver(I) trifluoro­methane­sulfonate 
The structure of the title complex, [Ag(C12H8N2)(C18H15P)]CF3SO3, is based on a distorted trigonal–planar N2P coordination of the AgI ion, provided by two N atoms of the bidentate phenanthroline ligand and one P atom of the triphenyl­phosphine ligand. The phenanthroline ligand and one phenyl ring of the triphenyl­phosphine ligand almost lie in one plane (maximum deviation = 0.014 Å from the best planes). The crystal structure may be stabilized by an inter­molecular C—H⋯O hydrogen bond between the phenanthroline ligand and the O atom of the trifluoro­methane­sulfonate anion.
doi:10.1107/S1600536809032097
PMCID: PMC2969938  PMID: 21577447
24.  catena-Poly[[[diaqua­(1,10-phenanthroline-κ2 N,N′)zinc]-μ-4,4′-bipyridine-κ2 N:N′] dinitrate 4,4′-bipyridine hemisolvate monohydrate] 
In the title compound, [Zn(C10H8N2)(C12H8N2)(H2O)2](NO3)2·0.5C10H8N2·H2O, the ZnII atom is coordinated in a distorted octa­hedral geometry by two N atoms from two 4,4′-bipyridine (4,4′-bipy) ligands, two N atoms from a chelating 1,10-phenanthroline ligand and two O atoms from two mutually cis water mol­ecules. The 4,4′-bipy ligands bridge the ZnII atoms into a chain structure along [100]. The uncoordinated 4,4′-bipy mol­ecule lies on an inversion center. O—H⋯O and O—H⋯N hydrogen bonds connect the cationic chains, the nitrate anions, the uncoordinated 4,4′-bipy mol­ecules and the water mol­ecules into tow-dimensional networks.
doi:10.1107/S1600536812036318
PMCID: PMC3435629  PMID: 22969502
25.  Bis[μ-bis­(diphenyl­phosphan­yl)methane-κ2 P:P′]bis­[(isoquinoline-κN)silver(I)] bis­(trifluoro­methane­sulfonate)–isoquinoline (1/1) 
The title complex, [Ag2(C25H22P2)2(C9H7N)2](CF3SO3)2·C9H7N, was prepared by the reaction of silver(I) trifluoro­methane­sulfonate with isoquinoline and bis­(diphenyl­phosphan­yl)methane (dppm). The dinuclear mol­ecule is located about a center of inversion and the AgI atom is coordinated by two dppm P atoms and one isoquinoline N atom, forming an eight-membered metalla ring. In addition, in the asymmetric unit, there is a half-mol­ecule of isoquinoline located about a center of inversion. Since this mol­ecule does not possess this symmetry, for one position in the ring there is superposition of both a C atom of a C—H group and the isoquinoline N atom. In the structure, the Ag—P distances [2.4296 (9) and 2.4368 (9) Å] agree with the corresponding distances in related structures, while the Ag—N bond length [2.489 (3) Å] is slightly longer than that in related structures. On the other hand, the P—Ag—P angle [156.44 (3)°] is much larger than the corresponding angles in related structures. The trifluoro­methane­sulfonate anions do not coordinate to AgI atoms. As is usually found for these anions, the –CF3 group is disordered over two orientations [occupancies = 0.57 (12) and 0.43 (12)].
doi:10.1107/S1600536812029236
PMCID: PMC3414098  PMID: 22904705

Results 1-25 (25)