Crystal structure, spectroscopic characterization, mechanical, thermal and theoretical investigations on creatininium benzenesulfonate - A new organic NLO single crystal

2020 ◽  
Vol 1221 ◽  
pp. 128863 ◽  
Author(s):  
S. Sindhusha ◽  
C.M. Padma ◽  
B. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Spectroscopic Characterization ◽  
Theoretical Investigations

Synthese und Kristallstruktur von Triphenyltelluroniumsulfid / Synthesis and Crystal Structure of Triphenyltelluroniumsulfide

1994 ◽  
Vol 49 (12) ◽  
pp. 1654-1658 ◽  
Author(s):  
Markus Wieber ◽  
Stefan Lang ◽  
Stefan Rohse ◽  
Ralph Habersack ◽  
Christian Burschka
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters

The synthesis of triphenyltelluroniumsulfide (Ph3TeS)4 is described together with a NMR-spectroscopic characterization. The structure of the title compound was determined by single crystal X-ray diffraction. Crystals of triphenyltelluroniumsulfide are triclinic (space group P1) with the cell parameters a = 1178.0(3) pm. b = 1295.8(6) pm. c = 1298.7(4) pm, α = 77.67(3)°, β = 82.18(2)°, γ = 66.00(2)° (V = 1766(1) × 106 pm3) and Z = 2. The compound appears to form a step-like structure of two [Ph3TeS]2 units and crystallizes with two molecules of CH2Cl2 per unit cell.

scholarly journals Synthesis and Single Crystal X-Ray Structure of New (2E)-2-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]-N-phenylhydrazinecarboxamide

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Mohamed I. Attia ◽  
Hazem A. Ghabbour ◽  
Aida A. El-Azzouny ◽  
Omar A. Al-Deeb ◽  
Maha S. Almutairi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Single Crystal ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Imine Bond

Synthesis, spectroscopic characterization and X-ray crystal structure of a new (2E)-2-[3-(1H-imidazol-1-yl)-1-phenylpropylidene]-N-phenylhydrazinecarboxamide (4) are reported. The stereochemistry of the title compound4, C19H19N5O, about the imine bond [1.296 (4) Å] was assigned to have (E)-configuration. In the urea moiety, the N–H entities aretransto each other, and one of these forms is an intramolecular N–H⋯H hydrogen bond. The compound crystallizes in the monoclinic space groupP21/cwitha= 5.8093 (2) Å,b= 20.5575 (6) Å,c= 14.0355 (5) Å,α= 90.00°,β= 97.365° (2),γ= 90.00°,V= 1662.36 (10) Å3, andZ= 4. The molecules are packed in crystal structure by weak intermolecular hydrogen interactions.

The Last Missing Member of the AE2[BN2]Cl Series – Synthesis, Structural and Spectroscopic Characterization of Ba2[BN2]Cl

2008 ◽  
Vol 63 (5) ◽  
pp. 525-529 ◽  
Author(s):  
Olaf Reckeweg ◽  
Jesse Reiherzer ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
X Ray ◽  
Fundamental Frequencies ◽  
Raman And Ir Spectra

Pale grey-blue, transparent single crystals of Ba2[BN2]Cl (I4132 (no. 214), a = 1462.88(1) pm, Z = 24) are obtained by the reaction of Ba, BaCl2, BN and NaN3 in arc-welded Ta ampoules at 1200 K. The crystal structure was determined by single crystal X-ray structure analysis. The Raman and IR spectra of the title compound show the expected fundamental frequencies (νs = 1038; νas = 1969 and 2087; δ = 616 / 636 cm−1) for a nitridoborate unit with D∞h symmetry. The [N-B-N] structure obtained by X-ray single crystal structure determination corroborates this finding within the standard deviations of the measurement with d(B-N) = 132.3(8) pm and ∡ (N-B-N) = 178.5(13)°. Our results compare well to the data reported for cubic and orthorhombic Ba3[BN2]2 as well as to the isotypic compound Ba2[BN2]Br.

Single-crystal Structure Determination and Spectroscopic Characterization of KSr4(BO3)3

2013 ◽  
Vol 68 (4) ◽  
pp. 338-344 ◽  
Author(s):  
Gerhard Sohr ◽  
Doris Clara ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Normal Pressure ◽  
Spectroscopic Characterization ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Raman Spectroscopic ◽  
Pressure Phase

During attempts to synthesize a high-pressure phase of KSr4(BO3)3 using pressures of up to 12 GPa, single crystals of the normal-pressure phase KSr4(BO3)3 with sufficient quality for singlecrystal diffraction experiments could be obtained at 3 GPa and 1300 °C in a Walker-type multianvil apparatus. The single-crystal structure determination verified the published powder diffraction data of KSr4(BO3)3 revealing the non-centrosymmetric space group Ama2 with a = 1104:8(2), b=1199:1(2), c=688:8(2) pm and Z =4. Additionally, IR- and Raman-spectroscopic investigations were performed on single crystals of the compound.

Structural trends and the electronic structure of the rare-earth oxomolybdates RMo5O8 (R = La, Ce, Pr, Nd, Sm, Eu and Gd) containing chains of bioctahedral Mo10 clusters

2003 ◽  
Vol 59 (4) ◽  
pp. 472-478 ◽  
Author(s):  
P. Gougeon ◽  
P. Gall ◽  
J.-F. Halet ◽  
R. Gautier
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Rare Earth ◽  
Single Crystal ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Theoretical Investigations ◽  
Bonding Mode ◽  
The Rare Earth

The crystal structures of the rare-earth members of the series RMo5O8 (R = Ce to Eu) have been investigated and compared with those of the La and Gd members previously published in order to understand the influences of the size and the charge of the cation on the different Mo—Mo bonds. The RMo5O8 compounds crystallize in the monoclinic space group P21/c. Their crystal structure is characterized by bioctahedral Mo10 clusters forming extended chains. The results of our single-crystal studies show that the modification of charge predominantly affects the Mo—Mo bonds between the Mo10 clusters and, to a lesser extent, the intra-cluster distances, while the cationic size induces only small variations. Theoretical investigations confirm this statement and allow the understanding of the bonding mode in these compounds.

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