scholarly journals Synthesis and crystal structure of allyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate

2021 ◽  
Vol 77 (4) ◽  
pp. 331-334
Author(s):  
Vanessa Nowatschin ◽  
Christian Näther ◽  
Ulrich Lüning
Keyword(s):  
Title Compound ◽  
Allyl Bromide ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Compound C ◽  
Pure Phase ◽  
Flash Column Chromatography ◽  
Diethylamino Group

The title compound, C17H19NO4, was synthesized by the reaction of 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid with allyl bromide and purified by flash column chromatography on silica gel. Crystals suitable for single-crystal X-ray diffraction were obtained by recrystallization from acetone. The aromatic core of the molecule is not planar with the diethylamino group and with the carboxyl group that are rotated out of the 2-oxo-2H-chromene plane by 6.7 (2)° and 11.4 (2)°. The NC2 unit of the diethylamino group is planar with an angle sum close to 360°. Intermolecular Car—H...Ocarbonyl interactions lead to the formation of chains parallel to the b axis. X-ray powder diffraction analysis proves that the title compound was obtained as a pure phase.

scholarly journals Synthesis and Crystal Structure ofN-Dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine

2015 ◽  
Vol 2015 ◽  
pp. 1-5
Author(s):  
Shuang Gao ◽  
Hai-Tao Qu ◽  
Fei Ye ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new compound,N-dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine, was synthesized and characterized. The crystal structure of the title compound (C11H10Cl3NO2,Mr=294.55) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space groupP21/c, witha=6.7619(14),b=24.866(5),c=9.737(3) Å,α=90.00,β=130.982(18),γ=90.00°,V=1235.9(5) Å3,Z=4,Dx=1.583 Mg/cm3,λ(Mo  Ka)=0.71073 Å,F(000)=600,μ=0.729 mm−1,R=0.0476, andwR=0.1274for 2217 reflections withI>2σ(I).

scholarly journals Synthesis and Crystal Structure of 2-(Dichloromethyl)-2-(4-nitrophenyl)-1,3-dioxane

2013 ◽  
Vol 2013 ◽  
pp. 1-4
Author(s):  
Fei Ye ◽  
Chang-Ying Sun ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new compound, 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxane, was synthesized and characterized. The crystal structure of the title compound (C11H11Cl2NO4,Mr=292.11) has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space groupP21/cwitha=11.013(2) Å,b=14.653(3) Å,c=7.8693(16) Å,α=90°,β=97.06(3)°,γ=90°,V=1260.3(4) Å3,Z=4,F(000)=600,Dc=1.540 mg/cm3, the finalR1=0.0508, andωR2=0.1072for observed reflections withI>2σI. A total of 12162 reflections were collected, of which 2867 were unique (Rint=0.06999).

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.

1,5-Bis(4-chlorophenyl)-3-(4-pyridyl)pentane-1,5-dione

2006 ◽  
Vol 62 (5) ◽  
pp. o1826-o1827
Author(s):  
Xiao-Yang Qiu ◽  
Wei-Sheng Liu ◽  
Hai-Liang Zhu
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Steric Effects ◽  
X Ray Diffraction ◽  
Pyridyl Group ◽  
X Ray ◽  
Compound C ◽  
Benzene Rings

The title compound, C22H17Cl2NO2, has been synthesized and characterized by single-crystal X-ray diffraction. In the crystal structure, the two benzene rings and the pyridyl group lie in a propeller arrangement around the central C atom, thereby minimizing the steric effects between these rings.

scholarly journals A pyridyl-substituted cyclodisilazane [(Apy)2(μ-SiMe)2] (ApyH2 = 2-aminopyridine)

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Rui Li ◽  
Xin-E Duan ◽  
Wei Cao ◽  
Xue-Hong Wei
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Title Compound ◽  
Membered Ring ◽  
Side Product ◽  
Inversion Center ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C

The title compound, C14H20N4Si2 or [(Apy)2(μ-SiMe)2], systematic name 2-[2,2,4,4-tetramethyl-3-(pyridin-2-yl)-1,3,2,4-diazadisiletidin-1-yl]pyridine, was obtained as a side product from the reaction of 2-amino-pyridine with LiBu n followed by the addition of Me2NMe2SiCl in hexane. The compound was characterized by single-crystal X-ray diffraction analysis and NMR spectroscopy. The title compound lies about an inversion center at the centroid of the cyclodisilazane ring. The four-membered Si2N2 core is strictly planar with the two pyridyl rings placed centrosymmetrically on either side of the Si2N2 plane and are almost coplanar with the central four-membered ring.

Filling up another Gap: Synthesis and Crystal Structure of Ba2H3I

2011 ◽  
Vol 66 (11) ◽  
pp. 1087-1091 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Title Compound ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths

Colorless and transparent single crystals of Ba2H3I were obtained by reacting Ba with dried and sublimed NH4I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules at 1100 K for 13 h. The crystal structure of the title compound was determined and refined by means of single-crystal X-ray diffraction. Ba2H3I crystallizes in a stuffed anti-CdI2 structure isotypic to Sr2H3I in the space group P3̄m1 (no. 164) with the lattice parameters a = 451.86(12) and c = 811.84(23) pm. The structural results for Ba2H3I are consistent with bond lengths and coordination geometries of related binary and ternary hydrides

scholarly journals Synthesis, Crystal Structure, and Fungicidal Activity of 5-(4-cyclopropyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Xing-Hai Liu ◽  
Jian-Quan Weng ◽  
Cheng-Xia Tan
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Fungicidal Activity ◽  
Herbicidal Activity ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new 1,2,3-thiadiazole compound was synthesized and characterized. The crystal structure of the title compound (C15H14FN5S2, Mr = 347.43) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 witha=7.0490(14),b=9.0212(18),c=12.799(3) Å,α= 89.97(3)°,β= 82.27(3)°,γ= 73.17(3)°,V= 771.3(3)  Å3, Z = 2, F(000) = 360, Dc = 1.496 g/cm3,μ= 0.036 mm−1, the finalR1= 0.0358, andwR2= 0.0986 for 2204 observed reflections withI>2σ(I). A total of 5697 reflections were collected, of which 2719 were independent (Rint=0.0028). The herbicidal activity of title compound was determined; the results showed that the title compound displayed excellent fungicidal activity.

scholarly journals Synthesis and Crystal Structure of the Praseodymium Orthoborate λ -PrBO3

2010 ◽  
Vol 65 (10) ◽  
pp. 1206-1212 ◽  
Author(s):  
Almut Haberer ◽  
Reinhard Kaindl ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Diffraction Data ◽  
Title Compound ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
High Pressure High Temperature

The praseodymium orthoborate λ -PrBO3 was synthesized from Pr6O11, B2O3, and PrF3 under high-pressure / high-temperature conditions of 3 GPa and 800 °C in a Walker-type multianvil apparatus. The crystal structure was determined on the basis of single-crystal X-ray diffraction data, collected at room temperature. The title compound crystallizes in the orthorhombic aragonite-type structure, space group Pnma, with the lattice parameters a = 577.1(2), b = 506.7(2), c = 813.3(2) pm, and V = 0.2378(2) nm3, with R1 = 0.0400 and wR2 = 0.0495 (all data). Within the trigonal-planar BO3 groups, the average B-O distance is 137.2 pm. The praseodymium atoms are ninefold coordinated by oxygen atoms.

scholarly journals N-tert-Butyl-2-{2-[2-(4-chlorophenyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]-N-(4-methoxyphenyl)acetamido}-2-(4-methoxyphenyl)acetamide methanol monosolvate: single-crystal X-ray diffraction study and Hirshfeld surface analysis

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Mariia O. Shyshkina ◽  
Yana I. Sakhno ◽  
Oleksandr V. Radchenko ◽  
Svitlana V. Shishkina ◽  
Sergey M. Desenko ◽  
...  
Keyword(s):  
Surface Analysis ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Compound C ◽  
Different Types ◽  
Natural Peptide

The title compound, C36H37ClN4O7·CH3OH, which crystallizes as a methanol solvate, may possess biological activity, which is inherent for a natural peptide or protein. In the crystal, molecules of the title compound form hydrogen-bonded tetramers with the solvate molecules acting as bridges as a result of the O—H...O and N—H...O intermolecular hydrogen bonds. Hirshfeld surface analysis was used to study the different types of intermolecular interactions whose contributions are: H...H = 53.8%, O...H/H...O = 19.0%, C...H/H...C = 14.8%, Cl...H/H...Cl = 5.3%, N...H/H...N = 3.2%.

Notes: Structure and Conformation of Photosynthetic Pigments and Related Compounds 3. Crystal Structure of β-Carotene

1992 ◽  
Vol 47 (5-6) ◽  
pp. 474-476 ◽  
Author(s):  
Mathias O. Senge ◽  
Häkon Hope ◽  
Kevin M. Smith
Keyword(s):  
Crystal Structure ◽  
Photosynthetic Pigments ◽  
Title Compound ◽  
Theoretical Calculations ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal System ◽  
Compound C ◽  
Related Compounds ◽  
Β Carotene

The crystal structure of the title compound (C40H56, Mw = 536.8) has been redetermined by X-ray diffraction methods in order to achieve a structure at higher resolution suitable for theoretical calculations. The crystal system is monoclinic, P21/n, a = 7.656(2), b = 9.445(5), c = 23.536(15) Å, β = 93.41(2)°, V = 1698.8(15) Å3, Z = 2, D = 1.050 m g/m3, 130 K. R = 0.071, Rw = 0.076.

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