Journal of Chemical Crystallography

article

Crystal structure oftrans-tetrachlorobis[2-(2-1H-imidazolyl)-1H-imidazolium]cadmium(II), [Cd(H₃biim)₂Cl₄]

Colin Hester, Russell G. Baughman, Harvest Collier

Journal of Chemical Crystallography > 1997 > 27 > 6 > 381-381

article

2-pyridylbis(diphenylphosphino)methane chemistry. Synthesis and structures of [Cu(μ−η²:η¹(Ph₂P)₂−CHC₅H₄N)(THF)]₂(BF₄)₂ and [Ni(Ph₂PCH₂C₅H₄N)₂]-[NiCl₄]·0.85CH₂Cl₂and [Ni(Ph₂PCH₂C₅H₄N)₂]-[NiCl₄]·0.85CH₂Cl₂

Joel T. Mague, Steven W. Hawbaker

Journal of Chemical Crystallography > 1997 > 27 > 10 > 603-608

Reaction of 2-pyridylbis(diphenylphosphino)methane (NPP) with [Cu(NCMe)₄]BF₄ and with [Ni(H₂O)₆]Cl₂ forms [Cu(NPP)(THF)]₂(BF₄)₂ (after recrystallization in the presence of THF) (1) and NiCl₂(NPP) (2) respectively Attempts to recrystallize2 led ultimately to the ligand cleavage product [Ni(Ph₂PCH₂C₅H₄N)₂][NiCl₄]·0.85CH₂Cl₂ (3). Complex1 crystallizes in the monoclinic space groupP2₁/n witha=13.148(2),...

article

Molecular co-crystals of carboxylic acids, part 29. The effect of competitive interactions on adduct formation involving 2-aminopyrimidine: the crystal structure of the 1∶1 adduct of 2-aminopyrimidine with indole-2-carboxylic acid

Daniel E. Lynch, Tariq Latif, Graham Smith, Karl A. Byriel, more

Journal of Chemical Crystallography > 1997 > 27 > 10 > 567-575

The crystal structure of the 1∶1 adduct of 2-aminopyrimidine with indole-2-carboxylic acid has been determined by single crystal X-ray diffraction, revealing a novel interactive mode. The utility of 2-aminopyrimidine in formation of stable hydrogen-bonded networks with carboxylic acids is discussed and the modes of interaction are reviewed.

article

2-Amino-1,2,3-triazole derivatives fromvicinal diazides

Duoli Sun, Mariusz Krawiec, Charles F. Campana, William H. Watson

Journal of Chemical Crystallography > 1997 > 27 > 10 > 577-588

A unique 2-amino-1,2,3-triazole system has been synthesized by the reaction of avicinal diazide with triphenylphosphine. The crystal structures of five 2-amino-1,2,3-triazole systems, a ditetrazole and a Staudinger adduct are reported.Ab initio calculations are used to rationalize the structures and properties of these materials, and possible reaction pathways are discussed.

article

Index abstracts

Journal of Chemical Crystallography > 1997 > 27 > 10 > 565-566

article

Crystal structures of polymeric complexes of zinc(II) bromide and perchlorate with 1,4-diazoniabicyclo [2.2.2]octane-1,4-diacetate

Ping-Rong Wei, De-Dong Wu, Bo-Mu Wu, Ze-Ying Zhang, more

Journal of Chemical Crystallography > 1997 > 27 > 10 > 609-615

Two zinc(II) complexes containing a flexible double betaine, namely [{Zn(L)Br₂}_n]·nH₂O (1) and [{Zn(L)₂(H₂O)₂}_n](ClO₄)_2n·4nH₂O (2) [L=1,4-diazoniabicyclo [2.2.2]octane-1,4-diacetate,⁻O₂CCH₂N⁺(CH₂CH₂)₃N⁺CH₂CO₂ ⁻], have been prepared and shown to have polymeric structures by single-crystal X-ray analysis. Complex (1) exhibits an infinite zigzag chain in which each zinc(II) atom is coordinated by two...

article

Crystal Structures of 6-methyl-3-phenylsulfonylchroman-4-one andtrans-6-methyl-3-phenylsulfonylchroman-4-ol

D. Sriram, K. C. Santosh, S. Srinivasan

Journal of Chemical Crystallography > 1997 > 27 > 10 > 599-602

The crystal structures of (i) CH₃(C₉H₆O₂)SO₂C₆H₅ and (ii) CH₃(C₈H₈O₂)SO₂−C₆H₅ have been determined by X-ray diffraction. (i) crystallizes in the monoclinic space groupP2₁/c with unit cell parametersa=8.814(1)Å,b=10.310(1)Å,c=15.841(4)Å, β=98.17(1)^o, andZ=4, and (ii) crystallizes in the orthorhombic space groupP2₁2₁2₁ with unit cell parametersa=6.206(1)Å,b=11.752(5)Å,c=19.865(3)Å, andZ=4. The pyran...

article

X-ray diffraction studies oncis-[Ru(bpy)₂(PMe₃)Cl⁺][ClO₄ ⁻] andcis-[Ru(bpy)₂{PMe₂(o-tol)}Cl⁺][ClO₄ ⁻]; two ordered structures in thecis-bis(bipyridyl)chloro(phosphine)-ruthenium(II) series

Melvyn Rowen Churchill, Lynn M. Krajkowski, My Hang Vo Huynh, Kenneth J. Takeuchi

Journal of Chemical Crystallography > 1997 > 27 > 10 > 589-597

The complexcis-[Ru(bpy)₂(PMe₃)Cl⁺][ClO₄ ⁻] crystallizes in space group P2₁/c andcis-[Ru(bpy)₂{PMe₂(o-tol)]Cl⁺][ClO₄ ⁻] crystallizes in space group $$P\bar 1$$ ; each is present as a racemate and neither structure suffers from disorder. The Ru−PMe₂(o-tol) bond length of 2.324(2)Å is slightly longer than the simple Ru−PMe₃ bond length of 2.310(2) Å.

article

The molecular structures of two furanoheliangolides

José Castañeda-Acosta, Alfonso G. Ober, Frank R. Fronczek, Nikolaus H. Fischer, more

Journal of Chemical Crystallography > 1997 > 27 > 11 > 641-644

The heliangolide-class sesquiterpene lactone 8β-angeloyloxy-9α-acetoxycalyculatolide, C₂₂H₂₆O₈,1, crystallizes in orthorhombic space groupP2₁2₁2₁ witha=12.455(3),b=12.601(3),c=14.023(5) Å,V=2200(1)Å,³ Z=4.R=0.059 for 1735 observed data. The 11,13-dihydro-11α, 13-epoxyatripliciolide-8β-angelate, C₂₀H₂₂O₇. 1/2 H₂O,2, crystallizes as the hemihydrate with two molecules in the asymmetric unit in triclinic...

article

Molecular structure of (±)-5-benzylamino-endo-tricylo[5.2.1.0^2,6]dec-4-en-3-one

René Gelder, Jan M. M. Smits, Frank J. A. D. Bakkeren, Antonius J. H. Klunder

Journal of Chemical Crystallography > 1997 > 27 > 11 > 677-679

The crystal and molecular structure of (±)-5-benzylamino-endo-tricyclo[5.2.1.0^2.6]dec-4-en-3-one is described. The X-ray analysis revealed that the reduction of the norbornene double bond is an important process in the irradiation of the used enaminones. The structure was solved by direct methods and refined by least squares methods toR ₁=0.0468 for 2070 reflections (withI>2σ(I). Crystal data:...

article

CO replacement in Ru₃(CO)₁₂ by 2,3-bis(diphenylphosphino)maleic anhydride (bma). X-ray structures of Ru₃(CO)₁₀(bma)·H₂O and

Huafeng Shen, Jian Cheng Wang, Simon G. Bott, Michael G. Richmond

Journal of Chemical Crystallography > 1997 > 27 > 11 > 649-656

Thermolysis of Ru₃(CO)₁₂ with 2,3-bis(diphenylphosphino)maleic anhydride (bma) in toluene solution gives the new compounds Ru₃(CO)₁₀(bma) (2), Ru₂(CO)₆(bma) (3), and (4). All compounds have been isolated and characterized in solution by IR and³¹P NMR spectroscopy. The solid-state structures of2, as the monohydrate, and4 were established by X-ray crystallography. Ru₃(CO)₁₀(bma)·H₂O crystallizes in...

article

Photooxygenation of 2-amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene

Ramazan Altundas, Mariusz Krawiec, William H. Watson, Metin Balci

Journal of Chemical Crystallography > 1997 > 27 > 11 > 645-648

The photooxygenation of 2-amino-3-cyano-4,5,6,7-tetrahydro-benzo[b]thiopene1 was carried out in the presence of thiourea in order to reductively trap the intermediate; however, the rearranged compound 3-cyano-7-hydroxy-2-thio-2,4,5,6,7,7a-hexahydroindole2 was isolated. The structure, determined by X-ray crystallography, is described, and the mechanism for the formation of2 is discussed.

article

Index abstracts

Journal of Chemical Crystallography > 1997 > 27 > 11 > 623-626

article

Intra- vs intermolecular hydrogen bonding. The crystal structure of 5-methyl-2-hydroxyacetophenone thiosemicarbazone monohydrate and salicylaldehyde-2-methylthiosemicarbazone monohydrate

Jesús Valdés-Martínez, Manuel Rubio, Raul Cetina Rosado, Javier Salcedo-Loaiza, more

Journal of Chemical Crystallography > 1997 > 27 > 11 > 627-634

The crystal structure of 5-methyl-acetophenonethiosemicarbazone monohydrate,A, and salicylaldehyde-2-methylthiosemicarbazone monohydrate,B, were determined using single crystal X-ray diffraction.A crystallizes in the monoclinic space groupC2/c, with lattice parametersa=14.161(2),b=15.753(1) Å,c=11.084(1) Å, β=112.59(1)° andZ=4, yielding a calculated density ofD _calc=1.352 mg/m³.B crystallizes in the...

article

Crystal structure of monomethylammonium monochlorodibromomercurate(II)

R. Ben Hassen, A. Ben Salah, A. Daoud, T. Jouini

Journal of Chemical Crystallography > 1997 > 27 > 11 > 657-660

The crystal structure of monomethylammonium monochlorodibromomercurate (II) was refined from single crystal X-ray data including the fractional contribution of centrosymmetric domains. The refinement converged toR=0.05 in space groupC2. The fraction of structure and its inverse were detected in the refinement. The structure is one-dimensional consisting of distorted tetrahedra (HgCl₂Br₂) connected...

article

Stereospecific solid-state NaBH₄-promoted reduction of 1-methylpentacyclo[5.4.0.0^2,6.0^3,10.0^5,9]undecane-8,11-dione

Simon G. Bott, Alan P. Marchand, Dongxia Xing, Rajesh Shukla, more

Journal of Chemical Crystallography > 1997 > 27 > 11 > 661-665

NaBH₄ reduction of a cage dione proceeds in a stereospecific fashion to give theendo,endo-diol. This reactivity is related to the crystal structure.

article

The molecular structures of three germacrolides related to parthenolide

José Castañeda-Acosta, Howard G. Pentes, Frank R. Fronczek, Nikolaus H. Fischer

Journal of Chemical Crystallography > 1997 > 27 > 11 > 635-639

The germacrolide-class sesquiterpene lactone, 1,10-epoxyparthenolide, C₁₅H₂₀O₄,1, crystallizes with two independent molecules in monoclinic space groupP2₁ witha=10.6845(5),b=9.0763(4),c=15.4326(7) Å, β=105.887(4)°,V=1439.4(3) Å³,Z=4.R=0.037 for 2425 observed data. Its 11βH, 13-dihydro-derivative 1,10-epoxydihydroparthenolide, C₁₅H₂₂O₄,2, crystallizes in orthorhombic space groupP2₁2₁2₁ witha=7.6414(10),...

article

Crystal structure and hydrogen bonding of propargylammonium hexafluorosilicate, 2(C₃H₆N)⁺ (SiF₆)²⁻

Thomas Steiner

Journal of Chemical Crystallography > 1997 > 27 > 11 > 673-675

The X-ray crystal structure of propargylammonium hexafluorosilicate, 2(C₃H₆N)⁺ (SiF₆)²⁻, is determined. The SiF₆ anion is involved in N−H...F and C−H...F interactions with eight surrounding cations. This involves two-three-and four-center N−H...F hydrogen bonds, and additional C−H...F interactions with C...F distances down to 2.963(6) Å. The alkynyl C−H donors form only C−H...F interactions of unfavorable...

article

Synthesis and crystal structure of [{CpFe(CO)}₂(μ-CO)-(μ-CHPMe₃)⁺][PF ₆ ⁻ ]

David George Churchill, Melvyn Rowen Churchill, Thomas S. Janik

Journal of Chemical Crystallography > 1997 > 27 > 11 > 667-671

The title compound crystallizes in the non-centrosymmetric space groupP2₁ withZ=2. Two CpFe(CO) fragments are held together by an iron-iron bond (Fe(1)−Fe(2)=2.539(3)Å), a bridging carbonyl ligand (Fe(1)−C(2)=1.910(16)Å, Fe(2)−C(2)=1.978(14)Å) and a bridging phosphonium ylid ligand Fe(1)−C(1)=1.978(12)Å, Fe(2)−C(1)=1.967(15)Å).

article

Crystal structures of the hydrated disodium and paraquat salts of 1,8-disulfonato-3,4,5,6-acridinetetracarboxylic acid

Bo-Long Poh, Kim Keong Thee, Thomas C. W. Mak

Journal of Chemical Crystallography > 1998 > 28 > 1 > 39-46

Two hydrated salts of 1,8-disulfonato-3,4,5,6-acridinetetracarboxylic acid, H₂L, have been characterized by single-crystal X-ray analysis. Compound 1, Na₂L·9 $$ - \frac{1}{2}$$ H₂O, crystallizes in the monoclinic space group C2/c with a = 42.005(1), b = 6.838(1), c = 23.807 (1) Å, β = 122.71 (1)°, and Z = 8. Compound 2, (paraquat)L·2H₂O, belongs to the triclinic space group $${P\bar 1}$$ ...

INFONA - science communication portal

Journal of Chemical Crystallography

Crystal structure oftrans-tetrachlorobis[2-(2-1H-imidazolyl)-1H-imidazolium]cadmium(II), [Cd(H₃biim)₂Cl₄]

2-pyridylbis(diphenylphosphino)methane chemistry. Synthesis and structures of [Cu(μ−η²:η¹(Ph₂P)₂−CHC₅H₄N)(THF)]₂(BF₄)₂ and [Ni(Ph₂PCH₂C₅H₄N)₂]-[NiCl₄]·0.85CH₂Cl₂and [Ni(Ph₂PCH₂C₅H₄N)₂]-[NiCl₄]·0.85CH₂Cl₂

Molecular co-crystals of carboxylic acids, part 29. The effect of competitive interactions on adduct formation involving 2-aminopyrimidine: the crystal structure of the 1∶1 adduct of 2-aminopyrimidine with indole-2-carboxylic acid

2-Amino-1,2,3-triazole derivatives fromvicinal diazides

Index abstracts

Crystal structures of polymeric complexes of zinc(II) bromide and perchlorate with 1,4-diazoniabicyclo [2.2.2]octane-1,4-diacetate

Crystal Structures of 6-methyl-3-phenylsulfonylchroman-4-one andtrans-6-methyl-3-phenylsulfonylchroman-4-ol

X-ray diffraction studies oncis-[Ru(bpy)₂(PMe₃)Cl⁺][ClO₄ ⁻] andcis-[Ru(bpy)₂{PMe₂(o-tol)}Cl⁺][ClO₄ ⁻]; two ordered structures in thecis-bis(bipyridyl)chloro(phosphine)-ruthenium(II) series

The molecular structures of two furanoheliangolides

Molecular structure of (±)-5-benzylamino-endo-tricylo[5.2.1.0^2,6]dec-4-en-3-one

CO replacement in Ru₃(CO)₁₂ by 2,3-bis(diphenylphosphino)maleic anhydride (bma). X-ray structures of Ru₃(CO)₁₀(bma)·H₂O and

Photooxygenation of 2-amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene

Index abstracts

Intra- vs intermolecular hydrogen bonding. The crystal structure of 5-methyl-2-hydroxyacetophenone thiosemicarbazone monohydrate and salicylaldehyde-2-methylthiosemicarbazone monohydrate

Crystal structure of monomethylammonium monochlorodibromomercurate(II)

Stereospecific solid-state NaBH₄-promoted reduction of 1-methylpentacyclo[5.4.0.0^2,6.0^3,10.0^5,9]undecane-8,11-dione

The molecular structures of three germacrolides related to parthenolide

Crystal structure and hydrogen bonding of propargylammonium hexafluorosilicate, 2(C₃H₆N)⁺ (SiF₆)²⁻

Synthesis and crystal structure of [{CpFe(CO)}₂(μ-CO)-(μ-CHPMe₃)⁺][PF ₆ ⁻ ]

Crystal structures of the hydrated disodium and paraquat salts of 1,8-disulfonato-3,4,5,6-acridinetetracarboxylic acid

Filter options

Publication date

Year

Content availability

Keywords

INFONA - science communication portal

Journal of Chemical Crystallography

Add recipient

Sending message cancelled

Are you sure you want to cancel sending this message?

Send message

Filter options

Publication date

Date range setting

Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.

Year

Content availability

Keywords

Reporting an error / abuse

Sending the report failed

Accessibility options