Deformation of the Adamantane Skeleton by Substitution: Crystal Structure of 1-Methylsulfonyladamantane

1993 ◽  
Vol 58 (2) ◽  
pp. 373-377
Author(s):  
Bernard Tinant ◽  
Jean-Paul Declercq ◽  
Otto Exner
Keyword(s):  
Crystal Structure ◽  
Adamantane Derivatives ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Bond Angles ◽  
Adamantane Skeleton

The crystals of 1-methylsulfonyladamantane are monoclinic, space group P21/a, with a = 11.094(3), b = 7.668(2), c = 13.161(3) Å, β = 101.74(2)0, V = 1 096.1(5) Å3, Z = 4, Dx = 1.29 g cm -3, MoKα, λ = 0.71069 Å, μ = 2.65 cm-1, F(000) = 456, T = 291 K, the final R value is 0.036 for 1 834 observed reflections. For this compound and from literature data, the bond angles of adamantane derivatives are briefly discussed: the angle on the substituted C(1) atom depends clearly on the substituent but the available figures are still rather imprecise.

The preparation and X-ray crystal structure of Te(N3)3SbF6 containing the triazidotellurium(IV) cation, Te(N3)3+

1989 ◽  
Vol 67 (11) ◽  
pp. 1687-1692 ◽  
Author(s):  
James P. Johnson ◽  
Gregory K. MacLean ◽  
Jack Passmore ◽  
Peter S. White
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Angles ◽  
X Ray Crystallography ◽  
Distorted Octahedral ◽  
Average Bond

The crystal structure of Te(N3)3SbF6 containing the first binary tellurium–nitrogen cation, triazidotellurium(IV) (Te(N3)3+), has been determined by X-ray crystallography. Single crystals of Te(N3)3SbF6 are monoclinic, space group P21/c with a = 9.201(6), b = 8.445(4), c = 13.582(7) Å, β = 100.36(5)°, Z = 4, final R1 = 0.036 for 1286 observed reflections. The structure consists of discrete Te(N3)3+ cations and distorted octahedral SbF6− anions, with some cation–anion interactions. The average Te—Nα—Nβ—Nγ bond distances in Te(N3)3+ are Te—Nα, 1.994(7); Nα—Nβ, 1.237(11); and Nβ—Nγ, 1.116(12) Å. The average bond angles about the Te, Nα, and Nβ atoms are 94.1(3)°, 116.5(6)°, and 173.7(9)°. Structural correlations with other TeX3+ species have yielded an estimate of the electronegativity of the N3− group to be 3.1 ± 0.1. Keywords: tetratellurium (2+) cation, triazidotellurium(IV) cation, electronegativity, azide.

Molekül- und Kristallstruktur der Verbindung 8-(n-Butylaminophenyl- methyliden)-1,2,3,4,5,6,7-heptathiocan / Molecular and Crystal Structure of 8-(n-Butylaminophenyl- methylidene)-1,2,3,4,5,6,7-heptathiocane

1994 ◽  
Vol 49 (8) ◽  
pp. 1063-1066 ◽  
Author(s):  
Frank W. Heinemann ◽  
Helmut Hartung ◽  
Nadja Maier ◽  
Hermann Matschiner
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Molecular And Crystal Structure ◽  
Primary Amines ◽  
Monoclinic Space Group ◽  
Torsion Angles ◽  
Space Group ◽  
Bond Angles ◽  
Lattice Constants

By the reaction of acetophenone with sulfur and primary amines yellow-coloured crystals of the title compound are formed. It crystallizes in the monoclinic space group P21/n with lattice constants a = 1309.9(2) pm, b = 926.5(2) pm, c = 1582.2(2) pm and β = 114.00(1)°. The structure of the eight-membered heptathiocane ring is characterized by a crown confor­mation. The range of the S-S distances [204.4(1)-207.3(1) pm], the S-S-S bond angles [107.2(1)- 109.0(1)°] and the S-S-S-S torsion angles [93.2(1)-97.7(1)°] is comparable to those observed in α-, β- and γ-sulfur.

scholarly journals Die Kristallstruktur von 2.2'-Bipyridin-bis(brenzkatechyl)phosphoniiimhexafluorophosphat / Crystal Structure of 2,2'-Bipyridine-bis(o-phenylenedioxy)phosphonium Hexafluorophosphate

1978 ◽  
Vol 33 (6) ◽  
pp. 583-587 ◽  
Author(s):  
William S. Sheldrick ◽  
Alfred Schmidpeter ◽  
Thomas von Criegern
Keyword(s):  
Crystal Structure ◽  
Phosphorus Atom ◽  
Chelate Ring ◽  
Octahedral Coordination ◽  
Monoclinic Space Group ◽  
Ring Systems ◽  
Space Group ◽  
Bond Angles ◽  
Bond Lengths ◽  
Bipyridine Ligand

Abstract 2,2'-Bipyridine-bis(o-phenylenedioxy)phosphonium hexafluorophosphate crystallises in the monoclinic space group C2/c (Z = 8) with a = 18.654(4), b = 10.131(2), c = 24.344(4) Å, β = 99.53(4)°. The cationic phosphorus atom displays an octahedral coordination slightly distorted towards the tetrahedral one of an uncomplexed phosphonium center. The OPO bond angles are between 91.6 and 95.7(2)°, the NPN angle of the bipyridine chelate ring in contrast is only 81.7(2)°. The ring systems of the bipyridine ligand are inclined slightly to one another at an angle of 4.7°. The bond lengths to the cationic phosphorus are P - 0 1.668-1.672(3), P-N 1.896(4) and 1.898(4) Å. The hexafluorophosphate anion is disordered

Notizen: The Crystal Structure of [Et4N]22+[TeI6]2-, a Tetraalkyl Ammonium Salt Containing a Discrete Octahedral [TeI6]2- Anion

1995 ◽  
Vol 50 (4) ◽  
pp. 695-696 ◽  
Author(s):  
P. C. Srivastava ◽  
H.-G. Schmidt ◽  
H. W. Roesky
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Ammonium Salt ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Bond Angles ◽  
Regular Octahedron

The structure of [Et4N]22+[TeI6]2-, the first tetraalkyl ammonium salt to contain the almost regular octahedron of a discrete [TeI6]2- anion, has been determined by single crystal X-ray diffraction studies. It crystallizes in the monoclinic space group C2/c with a = 18.757(3), b = 11.578(2), c = 15.447(2) Å, β = 109.380(10)°. The [TeI6]2- anion has Te - I bond distances in the range of 2.845 to 2.948 Å and I - Te - I bond angles in the range of 89(1) to 90.1(1)°.

scholarly journals Molekül- und Kristallstruktur von 1.1-Dimethylsilylentitanocendichlorid, (CH3)2Si(C5H4)2TiCl2 / Molecular and Crystal Structure of l,r-Dimethylsilylene Titanocene Dichloride, (CH3)2Si(C5H4)2TiCl2

1981 ◽  
Vol 36 (10) ◽  
pp. 1208-1210 ◽  
Author(s):  
Hartmut Köpf ◽  
Joachim Pickardt
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Determination ◽  
Titanocene Dichloride ◽  
Molecular And Crystal Structure ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Structural Dimensions

Abstract The molecular structure of the bridged [1]-titanocenophane 1,1'-dimethylsilylene titanocene dichloride, (CH3)2Si(C5H4)2TiCl2, has been investigated by an X-ray structure determination. Crystal data: monoclinic, space group C2/c, Z = 4, a = 1332.9(3), 6 = 988.7(3), c = 1068.9(3) pm, β = 113.43(2)°. The results are compared with the structural dimensions of similar compounds: 1,1'-methylene titanocene dichloride, CH2(C5H4)TiCl2, with the unbridged titanocene dichloride, (C5H5)2TiCl2 and the ethylene-bridged compound (CH2)2(C5H4)2TiCl2

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

Structure of 3α,4α:5β,6β-Diepoxyandrostan-17-one

1983 ◽  
Vol 36 (11) ◽  
pp. 2333 ◽  
Author(s):  
B Kamenar ◽  
RA Pauptit ◽  
JM Waters
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

The X-ray crystal structure of 3α,4α:5β,6β-diepoxyandrostan-17-one has been determined. Crystals of the title compound (C19H26O3)are monoclinic, space group P21, with a 9.208(2), b 9.620(4), c 9.312(3) �, β 99.14(2)�, V 814.5 Ǻ3 and Z 2. The structure was solved by direct methods and refined to R 0.039 for 887 observed reflexions. The 3α,4α:5β,6β configuration of the epoxide rings confirms the assignment based on proton n.m.r. studies.

Darstellung von Mononitropentahydrohexaborat(2-) und Kristallstruktur von M2[B6H5(NO2)], M = K, Cs / Preparation of Mononitropentahydrohexaborate(2—) and Crystal Structure of M2[B6H5(NO2)], M = K, Cs

1993 ◽  
Vol 48 (12) ◽  
pp. 1727-1731 ◽  
Author(s):  
A. Franken ◽  
W. Preetz ◽  
M. Rath ◽  
K.-F. Hesse
Keyword(s):  
Crystal Structure ◽  
Ion Exchange ◽  
Ion Exchange Chromatography ◽  
Exchange Chromatography ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Dichloromethane Solution ◽  
Space Group ◽  
X Ray ◽  
Diethylaminoethyl Cellulose

By electrochemical oxidation of [B6H6]2- in the presence of nitrite ions and the base DBU in dichloromethane solution mononitropentahydrohexaborate [B6H5(NO2)]2- ions are formed and can be isolated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structures of the K and Cs salt were determined from single crystal X-ray diffraction analyses. K2[B6H5(NO2)] is monoclinic, space group P21/m with a = 5.953(1), b = 8.059(4), c = 8.906(1) Å, β = 109.553(9)°; Cs2[B6H5(NO2)] is monoclinic, space group P21/a with a = 9.438(6), b = 9.644(7), c = 11.138(9) Å, β = 101.44(9)°. The B6 octahedron is compressed in the direction of the B—NO2 bond by about 5%, with bond lengths between 1.67 and 1.77 A.

Primäre und sekundäre Ethyl-und i-Propylsulfoniumsalze sowie Kristallstruktur von i-C3H7SH2+SbF6- [1]

1996 ◽  
Vol 51 (2) ◽  
pp. 277-285
Author(s):  
Rolf Minkwitz ◽  
Ulrike Lohmann ◽  
Hans Preut
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Bond Distance ◽  
Crystal Structure Analysis ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Spectroscopic Methods ◽  
Sulfonium Salt ◽  
Space Group

Abstract The synthesis of salts of the type RnSH3-n+MF6- (R = C2H5, i-C3H7; n = 1, 2; M = As, Sb) by protonation of the corresponding thiols and sulfides in the superacid systems HF/MF5 is reported. The salts have been characterized by vibrational and NMR spectroscopic methods. Isopropylsulfonium hexafluoroantimonate is the first known example of a sulfonium salt, for which a SH bond distance has been determined by a crystal structure analysis, i-C3H7SH2+SbF6- crystallizes in the monoclinic space group P21/m with a = 568.0(4), b = 801.1(6), c = 1019.7(8) pm, β = 82.63(6) °, with two formula units per unit cell.

scholarly journals CRYSTAL STRUCTURE OF TRIPHENYLTIN (IV) FORMATE POLYMER, (HCO2SnPh3)n

2020 ◽  
Vol 26 (3) ◽  
pp. 212-217
Author(s):  
MODOU SARR ◽  
MOUHAMADOU BIRAME DIOP ◽  
AMINATA DIASSE-SARR ◽  
AI WANG ◽  
ULLRICH ENGLERT
Keyword(s):  
Crystal Structure ◽  
Infinite Chain ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Axis Direction ◽  
Trigonal Bipyramidal ◽  
Triphenyltin Chloride

The title polymer [HCO2Sn(C6H5)3]n was isolated by serendipitous from reaction in ethanol 96 % between bis-(monocyclohexyl ammonium) 2-carboxyethyl hydrogen phosphonate, {(CyNH3)2[CO2CH2CH2PO2(OH)]} and triphenyltin chloride, SnPh3Cl. The polymer crystallizes in the monoclinic space group P21/n with Z = 4, a = 14.7091 (18) Å, b = 15.4133 (19) Å, c = 14.7639 (18) Å, β = 94.242 (2)° and V = 3338.0 (7) Å3. The structure consists of an infinite chain propagating along the crystallographic a-axis direction with bidentate formate anions. The O2SnC3 core is organized into a trans-trigonal bipyramidal like-arrangement.

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