scholarly journals Crystal structure of salts luminol with Li, Na and K

2014 ◽  
Vol 70 (a1) ◽  
pp. C1021-C1021
Author(s):  
Victor Rybakov ◽  
Vladimir Chernyshev ◽  
Ksenia Paseshnichenko ◽  
Victor Sheludyakov
Keyword(s):  
Crystal Structures ◽  
New Drugs ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
X Ray ◽  
Anti Oxidant ◽  
Molecular And Crystal Structures ◽  
Dsc Method

The molecular and crystal structures of new drugs Tamerit® (A) and Galavit® (B) which possess high effective immunomodulator, anti-inflammatory and anti-oxidant properties, were studied by single crystal and powder X-ray diffraction methods. As shown, A and B are aminodihydrophtalazindion (luminol) sodium salts, but A - is a dihydrate form and B anhydrous one, moreover it is a mixture two different crystal phases B1 and B2. The phase transition B1 <---> B2 is not registered by DSC method [1]. Crystal data for A: monoclinic system with a = 8.3429(4), b = 22.0562(11), c =5.2825(2) Å, β = 99.893(3)o, V = 957.59(8) Å3, Z = 4, sp.gr. R21/s. Crystal data for B1: monoclinic system with a = 14.7157(18), b = 3.7029(19), c = 16.0233(15) Å, β = 116.682(13)o, V = 780.1(4) Å3, Z = 4, sp.gr. R21/s. Crystal data for B2: orthorhombic system with a = 27.7765(15), b = 3.3980(19), c = 8.1692(19) Å, V = 771.0(5) Å3, Z = 4, sp.gr. Pna21. As a continuation of this work, we studied by the same methods other luminol salts: with Li - monohydrate (C1) and anhydrous (C2) and with K - trihydrate (D1) and anhydrous (D2). Crystal data for C1: monoclinic system with a = 13.0311(15), b = 9.6002(7), c = 7.3227(7) Å, β = 101.320(9)o, V = 898.26(15) Å3, Z = 4, sp.gr. R21/s. Crystal data for C2: monoclinic system with a = 13.0979(14), b = 8.7537(12), c = 14.5358(17) Å, β = 107.061(16)o, V = 1593.3(4) Å3, Z = 8, sp.gr. C2/c. Crystal data for D1: monoclinic system with a = 10.6760(6), b = 14.2905(8), c = 7.4902(5) Å, β = 99.246(5)o, V = 1127.90(12) Å3, Z = 4, sp.gr. R21/s. Crystal data for D2: orthorhombic system with a = 27.3961(19), b = 3.6811(14), c = 8.6672(12) Å, V = 874.1(4) Å3, Z = 4, sp.gr. Pna21 [2]. All X-ray experiments were made at T = 295 K. The features of molecular and crystal structures are discussed.

Lewis-Base Adducts of Group 1B Metal(I) Compounds. XXI The Crystal and Molecular Structures of the Unsolvated Forms of Dibromotris(triphenylphosphine)dicopper(I) and 'step' Tetrabromotetrakis(triphenyl-phosphine)tetracopper(I)

1985 ◽  
Vol 38 (8) ◽  
pp. 1243 ◽  
Author(s):  
JC Dyason ◽  
LM Engelhardt ◽  
C Pakawatchai ◽  
PC Healy ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Molecular Structures ◽  
Lewis Base ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Triphenyl Phosphine ◽  
X Ray ◽  
Crystal And Molecular Structures

The crystal structures of the title compounds have been determined by single-crystal X-ray diffraction methods at 295 K. Crystal data for (PPh3)2CuBr2Cu(PPh3) (1) show that the crystals are iso-morphous with the previously studied chloro analogue, being monoclinic, P21/c, a 19.390(8), b 9.912(5), c 26.979(9) Ǻ, β 112,33(3)°; R 0.043 for No 3444. Cu( trigonal )- P;Br respectively are 2.191(3); 2.409(2), 2.364(2) Ǻ. Cu(tetrahedral)- P;Br respectively are 2.241(3), 2.249(3); 2.550(2), 2.571(2) Ǻ. Crystals of 'step' [PPh3CuBr]4 (2) are isomorphous with the solvated bromo and unsolvated iodo analogues, being monoclinic, C2/c, a 25.687(10), b 16.084(7), c 17.815(9) Ǻ, β 110.92(3)°; R 0.072 for No 3055. Cu( trigonal )- P;Br respectively are 2.206(5); 2.371(3), 2.427(2) Ǻ. Cu(tetrahedral)- P;Br are 2.207(4); 2.446(2), 2.676(3), 2.515(3) Ǻ.

scholarly journals Crystal Structures of Two Macrocyclic Bischalcones Possessing 26-Membered Rings

2015 ◽  
Vol 2015 ◽  
pp. 1-5
Author(s):  
Rina Mondal ◽  
Nayim Sepay ◽  
Debajyoti Ghoshal ◽  
Asok K. Mallik
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Crystal Structures ◽  
Membered Ring ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Hydrogen Bonding Interactions

Single crystal X-ray diffraction of two macrocyclic bischalcones, namely, (2E,25E)-11,17,33,37-tetraoxapentacyclo[36.4.0.05,10.018,23.027,32]dotetraconta-1(42),2,5,7,9,18,20,22,25,27,29,31,38,40-tetradecaene-4,24-dione(1) and (2E,24E)-11,16,32,37-tetraoxapentacyclo[36.4.0.05,10.017,22.026,31]dotetraconta-1(42),2,5,7,9,17,19,21,24,26,28,30,38,40-tetradecaene-4,23-dione(2), each containing a 26-membered ring, has been studied. Compound 1 belongs to the monoclinic system, space group C2/c with a = 34.3615(9) Å, b = 12.7995(3) Å, c = 14.6231(3) Å, β = 96.912(2)°,  V = 6,384.6(3) Å3, and Z = 8. Compound 2 is triclinic, space group P-1 with a = 10.066(2) Å, b = 10.670(3) Å, c = 16.590(3) Å, α = 85.95(2), β = 89.244(14), γ = 62.211(13), V = 1572.0(6) Å3, and Z = 2. Intermolecular C–H⋯O hydrogen bonding interactions are present in both compounds.

Element–Element-Bindungen, IV. Molekül-und Kristallstruktur des Tetramethyldiphosphans und -diarsans /Element–Element Bonds, IV. Molecular and Crystal Structure of Tetramethyldiphosphane and -diarsane

1988 ◽  
Vol 43 (8) ◽  
pp. 952-958 ◽  
Author(s):  
Otto Mündt ◽  
Heinz Riffel ◽  
Gerd Becker ◽  
Arndt Simon
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
Molecular And Crystal Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Linear Chains ◽  
Extended Interaction ◽  
Molecular And Crystal Structures

Abstract The molecular and crystal structures of the isotypic compounds tetramethyldiphosphane 1 and -diarsane 2 have been determined by single crystal X-ray diffraction (monoclinic; C2/m; Z = 2; 1/2: -155/-144 °C\a = 540.6(2)/555.8(2); b = 1131.0(6)/l 136.7(6); c -602.5(2)/612.8(2) pm;β = 97.31(3)/95.24(3)°;P-P 221.2(1)/As-As 242.9(1) pm). In accordance with the crystallographically imposed symmetry 2/m, the molecules adopt antiperiplanar conformation. Their crystal structures are closely related to those of the homologues tetramethyldistibane 3 [1] and -dibismuthane 4 [3]. As found for the latter compounds, the E -E units (E = P, As) are also aligned in linear chains, but the intermolecular E···E contacts (P···P 381/As···As 370 pm) do not allow any extended interaction between molecules, which otherwise would result in thermochromic effects.

Crystal structure of Sc3Co1.64In4 and Sc10Co9In20 from single-crystal data

2019 ◽  
Vol 74 (3) ◽  
pp. 289-295 ◽  
Author(s):  
Nataliya Gulay ◽  
Yuriy Tyvanchuk ◽  
Marek Daszkiewicz ◽  
Bohdan Stel’makhovych ◽  
Yaroslav Kalychak
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting ◽  
Pure Metals

AbstractTwo compounds in the Sc-Co-In system were obtained by arc-melting of the pure metals and their crystal structures have been determined using single crystal X-ray diffraction data. The structure of Sc3Co1.64In4 (space group P6̅, а=7.6702(5), c=3.3595(2) Å, Z=1, R1=0.0160, wR2=0.0301) belongs to the Lu3Co2−xIn4 type structure, which is closely related to the ZrNiAl and Lu3CoGa5 types. The structure of Sc10Co9In20 (space group P4/nmm, а=12.8331(1), c=9.0226(1) Å, Z=2, R1=0.0203, wR2=0.0465) belongs to the Ho10Ni9In20 type, which is closely related to HfNiGa2.

Synthesis, molecular, and crystal structures of 3d transition metal cyanocyclopentadienides [M(MeOH)n(H2O)4–n{C5(CN)4X}2] (M=Mn, Fe, Co, Ni, Cu, Zn; X=H, CN, NH2, NO2)

2019 ◽  
Vol 74 (1) ◽  
pp. 109-118 ◽  
Author(s):  
Karlheinz Sünkel ◽  
Dietmar Reimann ◽  
Patrick Nimax
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Crystal Structures ◽  
Coordination Sphere ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Silver Salts ◽  
Dimensional Network ◽  
Molecular And Crystal Structures

AbstractThe reaction of the 3d transition metal dichlorides MCl2 (M=Mn, Fe, Co, Ni, Cu, Zn) with the silver salts of substituted tetracyanocyclopentadienides Ag+ [C5(CN)4X]− (X=CN, H, NH2 NO2) gives the complexes [M(MeOH/H2O)4{C5(CN)4)X}2]. Nine of these complexes were characterized by X-ray diffraction and it shows that they all are mononuclear with an octahedral M(N)2(O)4 coordination sphere. In the structures, extensive hydrogen bonding leads to dense three-dimensional network structures.

Powder diffraction investigations of 2,2′-Thiobis(4-methyl-6-tert-butylphenol) and 2,2′-Methylenebis(4-methyl-6-tert-butylphenol)

2005 ◽  
Vol 20 (1) ◽  
pp. 67-70
Author(s):  
B. Lasocha ◽  
M. Grzywa ◽  
W. Lasocha
Keyword(s):  
Room Temperature ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Phenol Derivatives

X-ray diffraction investigations of two phenol derivatives - 2,2′-Thiobis(4-methyl-6-tert-butylphenol) and 2,2′-Methylenebis(4-methyl-6-tert-butylphenol) were carried out. Both compounds at room temperature have similar cell volume and the same number of molecules in an unit cell. However, 2,2′-Thiobis(4-methyl-6-tert-butylphenol) crystallizes in the monoclinic system with unit cell parameters refined to a=0.8278(2) nm, b=1.2968(4) nm, c=1.9493(7) nm, β=90.93(2)°, space group P21∕n(14), whereas 2,2′-Methylenebis(4-methyl-6-tert-butylphenol) crystallizes in the orthorhombic system with unit cell parameters refined to a=1.6203(5) nm, b=1.2827(5) nm, c=1.0197(3) nm, space group Pna21(33). The investigated C22H30O2S turned out to be a new polymorph of 2,2′-Thiobis(4-methyl-6-tert-butylphenol).

On the Reaction of Hexachlorocyclotriphosphazene with Heptamethyldisilazane. Crystal Structure of P3N3Cl5{N(CH3)[Si(CH3)3]}

2007 ◽  
Vol 72 (10) ◽  
pp. 1407-1419 ◽  
Author(s):  
Radka Voznicová ◽  
Milan Alberti ◽  
Jan Taraba ◽  
Dalibor Dastych ◽  
Pavel Kubáček ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Experimental Data ◽  
Dft Calculations ◽  
Crystal Structures ◽  
Elemental Analysis ◽  
Molar Ratio ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Molecular And Crystal Structures

The reaction of P3N3Cl6 (1) with heptamethyldisilazane in the molar ratio 1:1 leads to the formation of 2,4,4,6,6-pentachloro-N-methyl-N-(trimethylsilyl)cyclotriphosphazen-2-amine, P3N3Cl5{N(CH3)[Si(CH3)3]} (2). Compound 2 was characterized by elemental analysis and spectroscopically. Molecular and crystal structures of 2 were determined by X-ray diffraction. 2 is monoclinic, space group P21/n. Experimental data were compared with results of DFT calculations.

scholarly journals A comparative study of the crystal structures of 2-(4-(2-(4-(3-chlorophenyl)pipera -zinyl)ethyl) benzyl)isoindoline-1,3-dione by synchrotron radiation X-ray powder diffraction and single-crystal X-ray diffraction

2019 ◽  
Vol 17 (1) ◽  
pp. 1116-1123
Author(s):  
Jin-Hui Zhou ◽  
Mao-Jian Shi ◽  
Lin Ding ◽  
Guo-Qiang ShangGuan ◽  
Jun Xu
Keyword(s):  
Synchrotron Radiation ◽  
Single Crystal ◽  
Cell Volume ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray

AbstractThe crystal structures of the title compound, C27H26ClN3O2, were established by single-crystal X-ray diffraction and synchrotron radiation X-ray powder diffraction. The simulated annealing approach and rigid-body Rietveld refinement were applied to the structure solution from powder data. Direct methods and full-matrix least-squares techniques were used to solve and refine the crystal structure from single-crystal data. The title compound crystallized in space group P $\bar{1}$ with lattice parameters a=17.396(7) Å, b= 10.010(4) Å, c=6.833(3) Å, α=77.345(12) °, β= 93.534(6) °, γ=97.210(9) °, unit-cell volume V= 1151.0(2) Å3, Z=2 from powder data, and in space group P $\bar{1}$with lattice parameters α=82.485(2) °, β= 86.5110(10) °, γ=77.518(2) °, a=6.8159(6) Å, b= 10.0003(9) Å, c=17.4140(15) Å, unit-cell volume V =1148.3(2) Å3, Z=2 from single-crystal data. No detectable impurities were observed.

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