Molecular Cocrystals of Carboxylic Acids. I. The Crystal Structures of the Adducts of Indole-3-acetic-Acid With Pyridin-2(1H)-one, 3,5-Dinitrobenzoic Acid and 1,3,5-Trinitrobenzene

1991 ◽  
Vol 44 (6) ◽  
pp. 809 ◽  
Author(s):  
DE Lynch ◽  
G Smith ◽  
KA Byriel ◽  
CHL Kennard
Keyword(s):  
Acetic Acid ◽  
Solid State ◽  
Crystal Structures ◽  
Benzene Ring ◽  
Solid State Reaction ◽  
Plant Hormone ◽  
Parent Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Indole 3 Acetic Acid

Three molecular cocrystal adducts of the plant hormone indole-3-acetic acid ( iaa ) have been prepared and their structures determined by X-ray diffraction. They are indole-3-acetic acid-bis [pyridin-2(1H)-one] (1), indole-3-acetic acid-3,5-dinitrobenzoic acid (2) and indole-3-acetic acid-1,3,5-trinitrobenzene (3). Complexes (2) and (3), which may be prepared in a solid-state reaction, are orange and are structurally similar, having significant π-π indole -benzene ring interactions. However, the colourless complex (1) shows no π-π ring interactions. In complex (2), the 3,5-dinitrobenzoic acid molecules form hydrogen-bonded cyclic dimers (O…O, 2.64 Ǻ), while in (3) the indole-3-acetic acid molecules form dimers (O…O, 2.66 Ǻ). This feature contrasts with the structure of adduct (1) in which the pyridin-2(1H)-one molecules exist as dimers [N…O, 2.79, 2.74 Ǻ] analogous to those found in the parent compound.

Structure Systematics of Auxin Herbicides. XXX. The Crystal Structures of (2-Isopropylphenoxy)-acetic Acid, (4-Fluorophenoxy)acetic Acid, (2,4-Dichloro-5-fluorophenoxy)acetic Acid and (Indol-3-ylthio)acetic Acid

1992 ◽  
Vol 45 (7) ◽  
pp. 1101 ◽  
Author(s):  
G Smith ◽  
DE Lynch ◽  
DS Sagatys ◽  
CHL Kennard ◽  
GF Katekar
Keyword(s):  
Acetic Acid ◽  
Crystal Structures ◽  
Plant Hormone ◽  
Side Chains ◽  
X Ray Diffraction ◽  
Natural Plant ◽  
Ring Systems ◽  
X Ray ◽  
Auxin Herbicides ◽  
Indole 3 Acetic Acid

The crystal structures of four analogues of the auxin herbicide series, including inactive examples, have been determined by X-ray diffraction methods. The compounds (2-isopropy1phenoxy)acetic acid (1), (4-fluorophenoxy)acetic acid (2) and (2,4-dichloro-5-fluorophenoxy)acetic acid (3) are from the phenoxyalkanoic acid series while (indol-3-ylthio)acetic acid (4) is the sulfur analogue of the natural plant hormone indole-3-acetic acid. All examples exist as hydrogen-bonded cyclic dimers [O…O, 2.640(7), 2.62(1), 2.637(4) and 2.665(4) � for (1)-(4), respectively]. Compounds (1) and (2) are essentially planar while compounds (3) and (4) have side chains anticlinally related to the ring systems, similar to (2,4-dich1orophenoxy)acetic acid and to indole-3-acetic acid.

scholarly journals NOTIZEN. Weitere Verbindungen vom Typ A3NO3: K3NO3 und Rb3NO3 / Further Compounds Typ A3NO3: K3NO3 and Rb3NO3

1980 ◽  
Vol 35 (2) ◽  
pp. 237-238 ◽  
Author(s):  
Martin Jansen
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Solid State Reaction ◽  
X Ray

Abstract K3NO3 and RbsNO3 were prepared by solid state reaction of equimolar mixtures of K2O/KNO2 and Rb20/RbN02, respectively. According to X-ray powder photographs their crystal structures are derived from the perovs-kite structure. K3NO3 is isostructural with Na3NO3 (a = 521.7 pm, Z = 1), Rb3NO3 represents a tetragonally distorted variant with a = 770.5, c = 550.8 pm and Z = 2.

Metal Phenoxyalkanoic Acid Interactions. XXV. The Crystal Structures of (2-Formyl-6-Methoxyphenoxy)Acetic Acid and Its Zinc(II) Complex and the Lithium, Zinc(II) and Cadmium(II) Complexes of (2-Chlorophenoxy)Acetic Acid

1987 ◽  
Vol 40 (7) ◽  
pp. 1147 ◽  
Author(s):  
EJ Oreilly ◽  
G Smith ◽  
CHL Kennard ◽  
TCW Mak
Keyword(s):  
Acetic Acid ◽  
Crystal Structures ◽  
Free Acid ◽  
Rotational Symmetry ◽  
Carboxyl Groups ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Third ◽  
Planar Complex ◽  
Hydrogen Bonded

The crystal structures of (2-formyl-6-methoxyphenoxy)acetic acid (1), diaquabis [(2-formyl-6-methoxyphenoxy) acetato ]zinc(11) (2), tetraaquabis [(2-chlorophenoxy) acetato ]zinc(11) (3), triaquabis [(2-chlorophenoxy) acetato ]cadmium(11) dihydrate (4) and lithium (2-chloro- phenoxy )acetate 1.5 hydrate (5) have been determined by X-ray diffraction. The acid (1) forms centrosymmetric hydrogen-bonded cyclic dimers [O…0, 2.677(6) �] which are non-planar. Complex (2) is six-coordinate with two waters [Zn- Ow , 1.997(2) �] and four oxygens from two asymmetric bidentate carboxyl groups [Zn-O, 2.073, 2.381(2) �] completing a skew trapezoidal bipyramidal stereochemistry. Complex (5) is also six-coordinate but is octahedral, with two trans-related unidentate carboxyl oxygens [mean Zn-O, 2.134(9) �] and four waters [mean Zn-O, 2.081(9) �]. The seven-coordinate complex (4) has crystallographic twofold rotational symmetry relating two :symmetric bidentate acid ligands [ Cd -O, 2.26, 2 48(:) �] and two waters [ Cd -O, 2.34(2) �] while the third water lies on this axis [ Cd -O, 2.27(2) �]. In contrast to the monomers (2)-(4), complex (5) is polymeric with tetrahedral lithium coordinated to one water and three carboxylate oxygens [mean Li-0, 1.95(1) �]. The essential conformation of the free acid is retained in complexes (2), (3) and (4) but in (5), it is considerably changed.

Preparation of Ultra–Fine La3NbO7 Powder by Solid State Reaction

2012 ◽  
Vol 512-515 ◽  
pp. 158-161 ◽  
Author(s):  
Ling Dai ◽  
Qiang Xu ◽  
Shi Zhen Zhu ◽  
Ling Liu
Keyword(s):  
Solid State ◽  
Solid State Reaction ◽  
Single Phase ◽  
Thermal Barrier ◽  
X Ray Diffraction ◽  
X Ray ◽  
Granular Particle ◽  
Fine Particle Size ◽  
Ultra Fine Particle ◽  
Different Temperatures

As a new candidate material for the ceramic layer in thermal barrier coatings (TBCs) system, La3NbO7 was synthesized with La2O3 powder and Nb2O5 powder by solid state reaction. The stating powders with a mole ratio of La to Nb of 3:1 were mixed and then the mixture was calcined under the different temperatures(800°C, 1000°C, 1200°C) and dwell times(2h, 6h, 10h). The phase structure of the powder was observed by X–ray diffraction(XRD), and the microstructure of the sample was observed by scanning electron microscope(SEM). The effect of calcination temperature and dwell Time on the phase formation were examined. The results indicate that the La3NbO7 powder with single phase can be synthesized successfully at 1200°C for 10h in air, and the La3NbOsub>7 powders synthesized have an ultra-fine particle size of 0.5˜1µm with a granular particle shape. With the temperature increasing, LaNbO4/sub> was synthesized firstly and then La3NbO7 was synthesized with a mole ratio of La2O3 to LaNbO4 of 1:1.

Thermal enhancement of 2H11/2→4I15/2 up-conversion luminescence of Er3+ doped K2Yb(PO4)(MoO4) phosphors

2021 ◽  
Author(s):  
Hongqiang Cui ◽  
Yongze Cao ◽  
Lei Zhang ◽  
Yuhang Zhang ◽  
Siying Ran ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Solid State Reaction ◽  
Solid State Reaction Method ◽  
X Ray Diffraction ◽  
Orthorhombic Crystal ◽  
Orthorhombic Crystal Structure ◽  
Reaction Method ◽  
X Ray ◽  
Thermal Enhancement

Er3+ with different concentrations doped K2Yb(PO4)(MoO4) phosphors were prepared by a solid-state reaction method, and the layered orthorhombic crystal structure of the samples was confirmed by X-ray diffraction (XRD). Under...

Changes in Crystallite Size of Tricalcium Silicate during the Laboratory Grinding

2021 ◽  
Vol 321 ◽  
pp. 23-27
Author(s):  
Simona Ravaszová ◽  
Karel Dvořák
Keyword(s):  
Solid State ◽  
Crystallite Size ◽  
Solid State Reaction ◽  
Solid State Reaction Method ◽  
Tricalcium Silicate ◽  
Planetary Mill ◽  
X Ray Diffraction ◽  
Reaction Method ◽  
X Ray ◽  
Grinding Time

The paper is focused on one of the most important component of Portland clinker-on the tricalcium silicate. The study reported in this article is focuses on the changes in crystallite size of synthetic tricalcium silicate obtained using solid state reaction method. Crystallite size changes are monitored during the grinding in three types of laboratory mills in two different conditions. Changing in crystallite size at various grinding time up to 120 minutes are studied with the aid of X-ray diffraction and using the Scherrer equation. It has been found that the most efficient laboratory mill in terms of speed and fineness of the material was the planetary mill.

Karakterisasi Kekristalan dan Konstanta Dielektrik Barium Stronsium Titanat (BaxSr1-XTiO3) dengan Variasi Komposisi Barium Dan Stronsium Yang Dibuat Menggunakan Metode Solid State Reaction

2019 ◽  
Vol 4 (4) ◽  
Author(s):  
Alpi Zaidah
Keyword(s):  
Solid State ◽  
Solid State Reaction ◽  
Holding Time ◽  
X Ray Diffraction ◽  
X Ray

Pembuatan sampel barium stronsium titanat (BaxSr1-xTiO3) telah dilakukan dengan metode solid state reaction. Variasi komposisi mol Ba(x) untuk pembuatan sampel adalah x=0,4;0,3 dan 0,2. Sampel di-sintering pada suhu 1100oC dengan holding time 2 jam. Karakterisasi sampel dilakukan menggunakan peralatan X-Ray Diffraction (XRD) untuk mengetahui tingkat kekristalan dan ukuran kristal dari sampel. Sedangkan untuk mengetahui besarnya konstanta dielektrik menggunakan RLC-Meter.  Berdasarkan analisa dengan software GSAS, parameter kisi BaxSr1-xTiO3 yang sintering pada suhu 1100°C untuk x=0,4 adalah a=b=c=3,947 nm. Parameter kisi a=b=c=3,947 nm untuk x=0,3, dan parameter kisi a=b=c=3,939 nm untuk x=0,2. Nilai parameter kisi a=b=c menunjukkan struktur kristal berbentuk kubik. Ukuran kristal berturut-turut untuk x=0,4;0,3 dan 0,2 adalah 65 nm, 66 nm dan 69 nm. Ukuran kristal semakin besar seiring dengan meningkatnya penambahan Sr. Pengukuran konstanta dielektrik (K) dilakukan pada rentang frekuensi 1 kHz. Nilai K sampel dengan x=0,4;0,3 dan 0,2 masing-masing sebesar 265, 277 dan 307.

Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)

1996 ◽  
Vol 52 (4) ◽  
pp. 651-661 ◽  
Author(s):  
A. Antolić ◽  
B. Kojić-Prodić ◽  
S. Tomić ◽  
B. Nigović ◽  
V. Magnus ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Side Chain ◽  
Structural Studies ◽  
X Ray Diffraction ◽  
Molecular Conformations ◽  
X Ray ◽  
Structure Activity ◽  
Planar Conformation ◽  
Derivatives Of ◽  
Indole 3 Acetic Acid

As part of the molecular recognition studies on the phytohormone indole-3-acetic acid (IAA) a series of fluorinated IAA's has been examined. The phenyl ring substitution at positions 4, 5, 6 and 7 resulted in four compounds, which were analyzed. Structure–activity correlation includes the analysis of their molecular conformations, based on the X-ray diffraction and computational chemistry results, and bioactivity determinations in the Avena coleoptile and the Pisum sativum stem straight-growth tests, lipophilicity and UV absorbance. The conformations of monofluorinated IAA's and a free hormone are defined by rotations about two bonds: one describes the relative orientation of a side chain towards the indole plane and the second the orientation of the carboxylic group. The results of X-ray structure analysis revealed the folded shape of the molecules in all compounds studied. Molecular mechanics and dynamics located the folded conformation as the local minimum, but failed to detect the planar conformation as one of the local minima, which according to ab initio results on IAA and 4-CI-IAA could also be possible. Crystal data at 295 K for 4-F-IAA and at 297 K for 5-F-IAA, and at 100 K for 6-F-IAA and 7-F-IAA using Mo Kα radiation (λ = 0.71073 Å) and Cu Kα (λ = 1.5418 Å, for 7-F-IAA), are as follows: 4-F-IAA, C10H8NO2F, Mr = 193.18, monoclinic, C2/c, a = 17.294 (5), b = 13.875 (4), c = 7.442 (4) Å, β = 103.88 (6)°, V = 1734 (1) Å3, Z = 8, Dx = 1.480 g cm−3, μ = 1.1 cm−1, F(000) = 800, R = 0.043, wR = 0.044 for 823 symmetry-independent [I ≥ 3σ(I)] reflections; 5-F-IAA, C10H8NO2F, monoclinic, P21/c, a = 19.284 (5), b = 5.083 (4), c = 9.939 (4) Å, β = 117.28 (6)°, V = 865.9 (1) Å3, Z = 4, Dx = 1.482 g cm−3, μ = 1.1  cm−1, F(000) = 400, R = 0.062, wR = 0.057 for 729 symmetry-independent [I ≥ 3σ(I)] reflections; 6-F-IAA, C10H8NO2F, monoclinic, P21/a, a = 9.360 (1), b = 5.167 (4), c = 17.751 (4) Å, β = 93.75 (1)°, V = 856.7 (8) Å3, Z = 4, Dx = 1.498 g cm−3, μ = 1.1 cm−1, F(000) = 400, R = 0.048, wR = 0.048 for 1032 symmetry-independent [I ≥ 2σ(I)] reflections; 7-F-IAA, C10H8NO2F, monoclinic, P21/a, a = 9.935 (5), b = 5.0059 (4), c = 17.610 (1) Å, β = 102.13 (1)°, V = 856.3 (1) Å3, Z = 4, Dx = 1.498 g cm−3, μ = 9.8 cm−1 (Cu Kα, F(000) = 400, R = 0.035, wR = 0.040 for 1504 symmetry-independent [I ≥ 2σ(I)] reflections.

scholarly journals Impact of Lithium Composition on Structural, Electronic and Optical Properties of Lithium Cobaltite Prepared by Solid-state Reaction

2014 ◽  
Vol 6 (2) ◽  
pp. 217-231 ◽  
Author(s):  
F. Khatun ◽  
M. A. Gafur ◽  
M. S. Ali ◽  
M. S. Islam ◽  
M. A. R. Sarker
Keyword(s):  
Optical Properties ◽  
Solid State ◽  
Ionic Conductivity ◽  
Cathode Material ◽  
Solid State Reaction ◽  
Layered Crystal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electronic And Optical Properties ◽  
Lithium Cobaltite

The lithium-cobalt oxide LixCoO2 is a promising candidate as highly active cathode material of lithium ion rechargeable batteries. The crystalline-layered lithium cobaltite has attracted increased attention due to recent discoveries of some extraordinary properties such as unconventional transport and magnetic properties. Due to layered crystal structure, Li contents (x) in LixCoO2 might play an important role on its interesting properties. LiCoO2 crystalline cathode material was prepared by using solid-state reaction synthesis, and then LixCoO2 (x<1) has been synthesized by deintercalation of produced single-phase powders. Structure and morphology of the synthesized powders were investigated by X-ray diffraction (XRD), Infrared spectroscopy, Impedance analyzer etc. The influence of lithium composition (x) on structural, electronic and optical properties of lithium cobaltite was studied. Temperature dependent electrical resistivity was measured using four-probe technique. While LixCoO2 with x = 0.9 is a semiconductor, the highly Li-deficient phase (0.75 ? x ? 0.5) exhibits metallic conductivity. The ionic conductivity of LixCoO2 (x = 0.5 – 1.15) was measured using impedance spectroscopy and maximum conductivity of Li0.5CoO2 was found to be 6.5×10-6 S/cm at 273 K. The properties that are important for applications, such as ionic conductivity, charge capacity, and optical absorption are observed to increase with Li deficiency. Keywords: Calcination; Characterization; Inorganic compounds; Solid-State reaction; X-ray diffraction. © 2014 JSR Publications. ISSN: 2070-0237 (Print); 2070-0245 (Online). All rights reserved.doi: http://dx.doi.org/10.3329/jsr.v6i2.17900 J. Sci. Res. 6 (2), 217-231 (2014)  

Dimethyl-, Disilyl- and Digermylsulfide: Different Intermolecular Contacts in the Solid State

2004 ◽  
Vol 59 (6) ◽  
pp. 635-638 ◽  
Author(s):  
Norbert W. Mitzel ◽  
Udo Losehand
Keyword(s):  
Solid State ◽  
Low Temperature ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intermolecular Contacts

The compounds (H3C)2S, (H3Si)2S and (H3Ge)2S have been crystallised in situ on a diffractometer and their crystal structures determined by low-temperature X-ray diffraction. The molecules are present as monomers in the crystals. The aggregation of the molecules through secondary intermolecular contacts in the crystal is different: (H3C)2S is weakly associated into dimers by S···S contacts, whereas (H3Si)2S and (H3Ge)2S form Si···S and Ge···S contacts in an ice-analogous aggregation motif. Important geometry parameters are (H3C)2S: C-S 1.794(av) Å , C-S-C 99.2(1)°; (H3Si)2S: Si- S 2.143(1) Å , Si-S-Si 98.4°; (H3Ge)2S Ge-S 2.223(2) and 2.230(2) Å , Ge-S-Ge 98.2(1)◦.

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