THE CRYSTAL STRUCTURE OF 1,4-DIBROMONAPHTHALENE

1961 ◽  
Vol 39 (8) ◽  
pp. 1574-1578 ◽  
Author(s):  
J. Trotter
Keyword(s):  
Crystal Structure ◽  
Detailed Examination ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Space Group ◽  
Bond Lengths ◽  
Sufficient Precision ◽  
Molecular Dimensions

Crystals of 1,4-dibromonaphthalene are monoclinic with eight molecules in a unit cell of dimensions a = 27.45, b = 16.62, c = 4.09 Å; β = 91.9°; space group P21/a The high proportion of bromine in the crystal probably precludes location of the carbon atoms with sufficient precision to give accurate molecular dimensions, and it has therefore not been considered worth while proceeding beyond the detailed examination of the projection along the short c-axis. There are two molecules in the asymmetric unit, and the solution of the structure from hk0 Patterson and Fourier projections has indicated that these two molecules are related, at least in projection, by a pseudo center of symmetry. The projected bond distances indicate significant deviations of the bromine atoms from the aromatic plane. Approximate values of the bond lengths in the molecule have been deduced from the projected distances and estimated orientation angles.

scholarly journals An X-ray investigation of the structure of some naphthalene derivatives

1928 ◽  
Vol 118 (780) ◽  
pp. 709-727 ◽  
Keyword(s):  
Crystal Structure ◽  
Detailed Examination ◽  
Unit Cell ◽  
Naphthalene Derivatives ◽  
Space Group ◽  
X Ray ◽  
Halogen Atoms

The crystal structure of naphthalene tetrachloride has been investigated by Sir William Bragg, who finds it to consist of a monoclinic body-centred lattice containing four molecules of C 10 H 9 C I4 per unit cell, the space group being apparently C 4 s . The orientation and the structure of the molecules suggested ( loc. cit .) is in harmony with the dimensions of the unit cell, and explains the chief features of the intensities in the most prominent spectra. In the present paper this structure is further examined by the rotating crystal method and, by means of a comparison with 1.2.3.4.5.8.-hexachlornaphthalene-1.2.3.4.-tetrahydride (referred to hereafter as dichlornaphthalene tetrachloride), an attempt is made to locate the halogen atoms. Several naphthalene derivatives were investigated, and the dichlor-tetrachloride was finally selected for a detailed examination because the crystal structure is very closely similar to that of naphthalene tetrachloride, and hence a direct comparison of intensities, etc., becomes possible. These data agree reasonably well with the axial ratios recorded in Groth, except that in the case of naphthalene tetrachloride the length of the c axis is now found to be doubled, and in the case of the dichlor-tetrachloride we have interchanged the a and the c of Groth.

N-TrimethylsilyMminotriphenylphosphoran-Kupfer(II)-chlorid, [Me3 SiNPPh3 · CuCl 2 ]2 Synthese und Kristallstruktur / N-Trimethylsilyl-iminotriphenylphosphorane Copper(II) Chloride, [Me3 SiNPPh3 · CuCl 2] 2 Synthesis and Crystal Structure

1988 ◽  
Vol 43 (1) ◽  
pp. 1-4 ◽  
Author(s):  
Dieter Fenske ◽  
Eberhard Böhm ◽  
Kurt Dehnicke ◽  
Joachim Strähle
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
Structure Determination ◽  
Ir Spectrum ◽  
Title Compound ◽  
Unit Cell ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Bond Lengths ◽  
Moisture Sensitive

Abstract The title compound has been prepared by the reaction of N-trimethylsilyl-iminotriphenylphos-phorane with copper(II) chloride in boiling CCl4 /C2H5OH, and forms moisture sensitive crystals, which are green in transmittance and black in reflexion. [Me3SiNPPh3 · CuCl2 ] 2 was characterized by its IR spectrum as well as by a crystal structure determination (4197 observed, independent reflexions, R = 0.049). The lattice dimensions are at 20 °C: a = 1102.7. b = 1407.3. c = 1560.2 pm; β = 94.27°; space group P21/n with two formula units in the unit cell. The complex consists of centrosymmetric, dimeric molecules with a planar Cu2 Cl2 ring (Cu-CI bond lengths 229 and 231 pm). A terminally bonded CI atom (Cu-CI = 221 pm) and the N atom of the Me3SiNPPh3 ligand (Cu-N = 198.5 pm) complete the coordination number four of the nearly planar surroundings of the Cu atoms.

Kupfer(I)-chlorid-Addukte von Phosphoraniminen Die Kristallstrukturen von Ph 3 PNPh * CuCl und von 2,3-Bis(triphenylphosphoranylidenamino)maIeinsäure-N-methylimid- Kupfer(I)-chlorid / Copper(I) Chloride Adducts of Phosphoranimines The Crystal Structures of Ph3 PNPh·CuCl and of 2,3-Bis(triphenylphosphoranylideneamino)maleic Acid N-Methylimide Copper(I) Chloride

1988 ◽  
Vol 43 (1) ◽  
pp. 5-11 ◽  
Author(s):  
Andrea Maurer ◽  
Dieter Fenske ◽  
Johannes Beck ◽  
Joachim Strähle ◽  
Eberhard Böhm ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Crystal Structures ◽  
Maleic Acid ◽  
Bond Angle ◽  
Asymmetric Unit ◽  
Space Group ◽  
Bond Lengths ◽  
Structure Determinations ◽  
Independent Molecules

Abstract The title compounds Ph3PNPh · CuCl (1) and (Ph3P)2 N2 C4O2 (NMe) CuCl (2) have been prepared by the reactions of CuCl with the corresponding phosphoranimines Ph3PNPh and 2.3-bis(triphenylphosphoranylideneamino)maleic acid N-methylimide, respectively. Both com-plexes were characterized by their IR spectra as well as by crystal structure determinations. Ph3PNPh · CuCl (1): space group P1, Z = 4, 3639 independent observed reflexions, R = 0.038. Lattice dimensions (18 °C): a = 1047.6; b = 1251.5; c = 1755 pm; α = 103.43°; β = 97.24°; γ = 101.30°. The compound forms monomeric molecules; the asymmetric unit contains two crystallo-graphically independent molecules. The CuCl molecule is bonded via the N atom of the phos-phoranimine. Bond lengths: Cu-N = 189 pm; Cu-CI = 209 pm; bond angle N - Cu - CI = 177°. (Ph3P)2N2C4O2(NMe) · CuCl (2): space group Pbca, Z = 8, 5611 independent, observed reflexions, R = 0.069. Lattice dimensions (25 °C): a = 1224.3; b = 1962.5: c = 2994.0 pm. The compound forms monomeric molecules with the CuCl molecule bonded via one of the N atoms of the phosphoranimine groups. Bond lengths: Cu - N = 194 pm; Cu-CI = 212 pm; bond angle N-Cu -CI -175°.

Cu6Br6(NPMe3)4, ein gemischt-valenter Kupfercluster / Cu6Br6(NPMe3)4, a Mixed-Valent Cluster of Copper

1994 ◽  
Vol 49 (7) ◽  
pp. 987-990 ◽  
Author(s):  
Rolf Meyer zu Köcker ◽  
Kurt Dehnicke ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Bromine Atom ◽  
Unit Cell ◽  
Crystal Structure Determination ◽  
Space Group ◽  
Bond Lengths ◽  
Cluster Molecule

Abstract Cu6Br6(NPMe3)4 has been prepared as a by-product from the reaction of CuBr with Me3SiNPMe3 in a CH2Cl2 suspension. The dark red-violet crystals, which contain three molecules CH2Cl2 per unit cell, have been characterized by a crystal structure determination. Cu6Br6(NPMe3)4 · 3 CH2Cl2: Space group P1̅, Z = 2, lattice dimensions at -95 °C: a = 1165.2(4), b = 1168.9(4), c = 1842.9(6) pm, a = 75.61(3)°, β = 84.15(3)°, γ = 61.08(2)°, 6918 observed unique reflections, R = 0.066. In the cluster molecule Cu6Br6(NPMe3)4 the copper atoms form a nearly ideal octahedron with Cu-Cu bond lengths of 268.8 pm in average. Each of the Cu atoms is con­nected with a terminal bromine atom. Four planes of the octahedron are capped by μ3-nitrogen atoms of the (NPMe3)- groups.

Crystal Structure of Tetrabutylammonium Carbonyltribromoplatinate(II) [(C4H9)4N][PtBr3(CO)]

2002 ◽  
Vol 57 (6) ◽  
pp. 610-614 ◽  
Author(s):  
Michael Berkei ◽  
Jamie F. Bickley ◽  
Brian T. Heaton
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Unit Cell ◽  
Monoclinic System ◽  
Space Group ◽  
Bond Lengths

AbstractTetrabutylammonium carbonyltribromoplatinate(II) [(C4H9)4N][PtBr3(CO)] crystallises in the monoclinic system in the space group P21/n with a = 1487.84(13), b = 897.41(8), c = 1849.6(2) pm, β = 106.558(2)° and four formula units per unit cell. The [PtBr3 (CO)]- anion is symmetrical (C2v) and almost planar with Pt-Br bond lengths of 242.40(12) pm (trans to CO), 243.25(10) pm and 242.99(9) pm (trans to Br), and a Pt-C bond length of 185.6(11) pm.

The surprisingly elusive crystal structure of sodium metabisulfite

2004 ◽  
Vol 60 (2) ◽  
pp. 155-162 ◽  
Author(s):  
Kay L. Carter ◽  
Tasneem A. Siddiquee ◽  
Kristen L. Murphy ◽  
Dennis W. Bennett
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Low Temperature ◽  
Unit Cell ◽  
Sodium Metabisulfite ◽  
Asymmetric Unit ◽  
Space Group ◽  
Crystal Fragment ◽  
First Time ◽  
Correct Structure

The crystal structure of Na2S2O5, a simple and common ionic compound, is reported here for the first time. The crystals form non-merohedral twins, with the twin domains related by a twofold axis which bisects the angle between the a and c axes of each unit cell. The structure was determined from a single-crystal fragment of a twinned crystal that had undergone cleavage along the twin boundary. In addition to the problems associated with twinning, space-group determination proved difficult as well, with the structure initially determined in the P21 space group appearing to be disordered with two rotational conformers of the metabisulfite ion occupying equivalent sites in the lattice. An analysis at low temperature provided new weak reflections which were inconsistent with the original unit cell, but indexed to the correct unit cell, allowing for space group and crystal structure determination. The apparent structure, which appeared disordered in P21, seems to have resulted from an apparently fortuitous superposition of two conformationally inequivalent S2O_5^{2-} anions in the asymmetric unit of the correct structure in the P21/n space group. The metabisulfite ions in this structure do not adopt the Cs geometry observed in previously determined crystal structures containing S2O_5^{2-}. The structures of both ions in the asymmetric unit are effectively conformational mirror images of one another with two of the O atoms on each S atom in the ion approaching an eclipsed geometry. This observation provides further evidence that the structures of sulfur-oxy anions in the solid state are dictated mainly by interionic coulombic forces rather than by intraionic bonding interactions

Crystal structure of Cu3(AsO4)2

1968 ◽  
Vol 46 (6) ◽  
pp. 917-927 ◽  
Author(s):  
Sandra J. Poulsen ◽  
C. Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Bond Distance ◽  
Unit Cell ◽  
Monoclinic Crystal ◽  
Space Group ◽  
Bond Lengths ◽  
Oxygen Distance ◽  
Atom Bond ◽  
Oxygen Atoms

Cu3(AsO4)2 forms a monoclinic crystal with lattice parameters a = 6.327(5) Å, b = 8.642(5) Å, c = 11.313(5) Å, β = 92.04(4)°, and Z = 4. The space group is P21/c. The two orthoarsenate anions in the unit cell have average AsO bond lengths of 1.68 Å and 1.70 Å with mean deviations of 0.02 Å and 0.01 Å respectively. The three cations are fivefold coordinated to oxygen atoms with mean cation oxygen atom bond lengths of 2.005 Å, 2.053 Å, and 2.017 Å for the three independent cations. The range of bond distances extends from 1.892 Å to 2.362 Å. Only one additional cation oxygen distance of less than 3 Å occurs and this lies at 2.76 Å. The cation polyhedra form sheets parallel to the ab plane by corner and edge sharing of common oxygen atoms. Adjacent sheets are bonded through the long Cu—O bond distance cited above and by the AsO43− anions. Each of the arsenic atoms shares three oxygen atoms with one sheet and one with the adjacent one.

Determining the crystal structure of twinned 2-methylpyrazine

2000 ◽  
Vol 56 (4) ◽  
pp. 677-681 ◽  
Author(s):  
Roland Boese ◽  
Annette Gehrke ◽  
Moshe Kapon ◽  
Frank H. Herbstein
Keyword(s):  
Crystal Structure ◽  
Excellent Agreement ◽  
Direct Methods ◽  
Asymmetric Unit ◽  
Space Group ◽  
Molecular Arrangement ◽  
Symmetry Relations ◽  
Molecular Dimensions

Although systematic absences and symmetry relations among reflections pointed to space group I4122 (one molecule in the asymmetric unit), a direct methods solution could only be obtained in I4¯ (two molecules in the asymmetric unit). Refinement in I4¯ was unsatisfactory until merohedral twinning was taken into account. The resulting molecular dimensions are in excellent agreement with analogous values in the literature. The molecular arrangement is described.

ReCl5 • OPCl3; IR-Spektrum und Kristallstruktur / ReCl5 • OPCl3; IR Spectrum and Crystal Structure

1984 ◽  
Vol 39 (2) ◽  
pp. 135-138 ◽  
Author(s):  
Paul Klingelhöfer ◽  
Ulrich Müller ◽  
Hans Günter Hauck ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Diffraction Data ◽  
Ir Spectrum ◽  
Unit Cell ◽  
Saturated Solution ◽  
Space Group ◽  
Bond Lengths ◽  
Data Space ◽  
Complex Forms

Single crystals of ReCl5 • OPCl3 were obtained by cooling a saturated solution of rheniumpentachloride in phosphorylchloride. It formes black needles, which are extremely sensitive to moisture. In the IR spectrum ν(PO) is shifted downwards by 140 cm-1 in comparison with liquid POCl3, indicating coordination via oxygen. The crystal structure was solved and refined from Xray diffraction data (space group Pnma, four formula units per unit cell, a = 1629, b = 790, c = 877 pm, 902 observed, independent reflexions, R = 0.040). The complex forms discrete molecules ReCl5 • OPCl3, with symmetry Cs(m). Bond lengths are Re -O - 214 pm and P-O = 146 pm, the angle Re -O -P is 143°

Notizen: Die Kristallstruktur von ClPb[N(SiMe3)2]3 / Crystal Structure of ClPb[N(SiMe3)2]3

1998 ◽  
Vol 53 (9) ◽  
pp. 1074-1076 ◽  
Author(s):  
Donna M. Smith ◽  
Bernhard Neumüller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Title Compound ◽  
Redox Reaction ◽  
Unit Cell ◽  
Space Group ◽  
Bond Lengths ◽  
Ether Solution ◽  
Molybdenum Pentachloride

Abstract Pale brown single crystals of the title compound have been obtained by the reaction of Pb[N(SiMe3)2]2 with molybdenum pentachloride in ether solution as a result of a redox reaction. ClPb[N(SiMe3)2]3 crystallizes in the trigonal space group R3 with three formula units per unit cell. Lattice dimensions at -50 °C: a = b -1828.7(2), c = 854.5(1) pm. The compound forms monomeric molecules with bond lengths Pb-Cl = 247.9(4) pm and Pb - N = 213(2) pm.

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