scholarly journals Crystal structures of (E)-1-naphthaldehyde oxime and (E)-phenanthrene-9-carbaldehyde oxime

2018 ◽  
Vol 74 (3) ◽  
pp. 332-336
Author(s):  
Jamal Lasri ◽  
Katherine Chulvi ◽  
Naser Eltaher Eltayeb
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Hydroxylamine Hydrochloride ◽  
Dihedral Angles ◽  
Hydrogen Bonding Interaction ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Bonding Interaction ◽  
Polymeric Chains

The aldoximes C11H9NO (I) and C15H11NO (II), synthesized inca90% yield, by treatment of 1-naphthaldehyde or phenanthrene-9-carbaldehyde, respectively, with hydroxylamine hydrochloride and sodium carbonate, have been characterized by IR,1H,13C and DEPT-135 NMR spectroscopies, and also by single-crystal X-ray diffraction analysis. The molecules of (I) and (II) are conformationally similar, with the aldoxime substituent groups lying outside the planes of the naphthalene or phenanthrene rings, forming dihedral angles with them of 23.9 (4) and 27.9 (6)°, respectively. The crystal structures of both (I) and (II) are similar with a single intermolecular O—H...N hydrogen-bonding interaction, giving rise to the formation of one-dimensional polymeric chains extending along the 21(b) screw axes in each.

Solvothermal Syntheses and Crystal Structures of New One-dimensional Selenogallates [bappH2][Ga2Se4] (bapp = 1,4-Bis-(3-aminopropyl)piperazine) and [Mn(en)3][Ga2Se5] (en = Ethylenediamine)

2011 ◽  
Vol 66 (9) ◽  
pp. 877-881
Author(s):  
Chao Xu ◽  
Jing-Jing Zhang ◽  
Taike Duan ◽  
Qun Chen ◽  
Qian-Feng Zhang
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Solvothermal Syntheses ◽  
Polymeric Chains ◽  
Amine Complex ◽  
Solvothermal Conditions ◽  
Metal Amine

Two new selenogallates, [bappH2][Ga2Se4] (1) (bapp = 1,4-bis(3-aminopropyl)-piperazine) and [Mn(en)3][Ga2Se5] (2) (en = ethylenediamine), have been synthesized under solvothermal conditions and structurally characterized by single-crystal X-ray diffraction. Compounds 1 and 2 contain one-dimensional polymeric chains {[Ga2Se4]2−}∞ and {[Ga2Se5]2−}∞, respectively. The negative charges of the polymeric chains are balanced by a protonated 1,4-bis(3-aminopropyl)piperazine cation in 1 and by the metal-amine complex cations [Mn(en)3]2+ in 2. TGA analyses have shown that compound 2 is thermally more stable than compound 1.

scholarly journals The crystal structures and mechanical properties of the uranyl carbonate minerals roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite

2020 ◽  
Vol 7 (21) ◽  
pp. 4197-4221 ◽  
Author(s):  
Francisco Colmenero ◽  
Jakub Plášil ◽  
Jiří Sejkora
Keyword(s):  
Mechanical Properties ◽  
Hydrogen Bonding ◽  
Diffraction Pattern ◽  
Crystal Structures ◽  
First Principles ◽  
X Ray Diffraction ◽  
Carbonate Minerals ◽  
X Ray ◽  
Uranyl Carbonate

The structure, hydrogen bonding, X-ray diffraction pattern and mechanical properties of six important uranyl carbonate minerals, roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite, are determined using first principles methods.

scholarly journals Darstellung und Kristallstrukturen von (PH4P)4Sb8I28 und (Ph4P)Sb3I10(Ph = C6H5) / Synthesis and Crystal Structures of (PH4P)4Sb8I28 and (Ph4P)Sb3I10(Ph = C6H5)

1987 ◽  
Vol 42 (12) ◽  
pp. 1493-1499 ◽  
Author(s):  
Siegfried Pohl ◽  
Wolfgang Saak ◽  
Detlev Haase
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Lone Pair ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Molar Ratios ◽  
Polymeric Chains ◽  
Bond Strengths

AbstractThe compounds (Pn4P)4Sb8I28 (1) and (Ph4P)Sb3I10 (2) were prepared by the reaction of SbI3 and Ph4PI in acetonitrile (molar ratios 2:1 and 3:1 respectively). The structures of 1 and 2 were determined from single crystal X-ray diffraction data.1 crystallizes in the triclinic space group P1̄ with a - 1321.7(5). b = 1346.7(5), c = 2201.8(8) pm, α = 104.18(2). β = 99.92(2), γ = 100.33(2)°; 2: monoclinic, C2/c, a = 2371.1(2), b = 745.0(1), c = 2495.1(2) pm, β = 100.75(1)°.Whereas 1 exhibits isolated Sb8I284- ions, the anions of 2 are built up of polymeric chains [Sb3I10- ]∞. In both compounds the distorted Sbl6 octahedra are linked by common edges. The Sb-I distances are in the range between 277.4 and 354.8 pm (1) and between 277.4 and 342.4 pm (2). The observed structures do not only depend on stoichiometry, the nature of the counter cations, and the possibility of oligomerisation but also on the wide variety of the Sb-I bond strengths and the different bridges formed by iodine.The lone pair of Sb(III) seems to be predominantly 5 s2.

scholarly journals Structures of (S)-(−)-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data

2006 ◽  
Vol 62 (4) ◽  
pp. 606-611 ◽  
Author(s):  
Asiloé J. Mora ◽  
Michela Brunelli ◽  
Andrew N. Fitch ◽  
Jonathan Wright ◽  
Maria E. Báez ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Direct Methods ◽  
X Ray Diffraction ◽  
Synchrotron Diffraction ◽  
X Ray ◽  
The Asymmetry

The crystal structures of the four-membered heterocycles (S)-(−)-4-oxo-2-azetidinecarboxylic acid (I) and 3-azetidinecarboxylic acid (II) were solved by direct methods using powder synchrotron X-ray diffraction data. The asymmetry of the oxoazetidine and azetidine rings is discussed, along with the hydrogen bonding.

The Crystal and Molecular Structure of the 1:1 Adduct Hydrate of Pyrazine-2,3-dicarboxylic Acid with 1,1-Diethylurea

2000 ◽  
Vol 53 (12) ◽  
pp. 999 ◽  
Author(s):  
Graham Smith ◽  
Colin H. L. Kennard
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Dicarboxylic Acid ◽  
Lattice Water Molecule ◽  
Crystal And Molecular Structure ◽  
Acid Group ◽  
X Ray Diffraction ◽  
Carboxylic Acid Group ◽  
X Ray ◽  
Bonding Interaction

The adduct hydrate of 1,1-diethylurea with pyrazine-2,3-dicarboxylic acid, [(C6H4N2O4)(C5H12N2O)].H2O has been prepared and characterized using low-temperature single-crystal X-ray diffraction methods. A primary asymmetric cyclic hydrogen-bonding interaction, similar to those found in other adducts of 1,1-diethylurea with the nitro-substituted aromatic acids, was found between the amide group of the substituted urea and one carboxylic acid group of the acid. Further peripheral hydrogen-bonding associations involving both the f irst and the second carboxylic acid groups, urea and the lattice water molecule result in a ribbon polymer structure.

Inhibitors of the geotropic response in plants. The crystal structures of 2-[(Naphthalen-2-yl)carbamoyl]benzoic acid (β-Naptalam), 2-(Phenylcarbamoyl)-benzoic acid and 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

1983 ◽  
Vol 36 (12) ◽  
pp. 2455 ◽  
Author(s):  
G Smith ◽  
CHL Kennard ◽  
GF Katekar
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Benzoic Acid ◽  
Crystal Structures ◽  
Carboxylic Acids ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylic Acid Groups ◽  
Phthalamic Acid

The crystal structures of three geotropically active phthalamic acid derivatives have been determined by means of X-ray diffraction and the structural systematics for the series compared. The three acids are conformationally similar and, in contrast to the tendency among carboxylic acids to form hydrogen-bonded dimers, they exist as monomers with intermolecular hydrogen bonding between the carboxylic acid groups and the nitrogen or oxygen of the amide side chains.

scholarly journals Crystal structures and hydrogen bonding in the morpholinium salts of four phenoxyacetic acid analogues

2015 ◽  
Vol 71 (11) ◽  
pp. 1392-1396 ◽  
Author(s):  
Graham Smith ◽  
Daniel E. Lynch
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Ion Pairs ◽  
Phenoxyacetic Acid ◽  
Dimensional Chain ◽  
Hydrogen Bonding Interaction ◽  
One Dimensional ◽  
Bonding Interaction ◽  
Graph Set ◽  
Dichlorophenoxy Acetic Acid

The anhydrous salts morpholinium (tetrahydro-2-H-1,4-oxazin-4-ium) phenoxyacetate, C4H10NO+·C8H7O3−, (I), morpholinium (4-fluorophenoxy)acetate, C4H10NO+·C8H6 FO3−, (II), and isomeric morpholinium (3,5-dichlorophenoxy)acetate (3,5-D), (III), and morpholinium (2,4-dichlorophenoxy)acetic acid (2,4-D), C4H10NO+·C8H5Cl2O3−, (IV), have been determined and their hydrogen-bonded structures are described. In the crystals of (I), (III) and (IV), one of the the aminium H atoms is involved in a three-centre asymmetric cation–anion N—H...O,O′R12(4) hydrogen-bonding interaction with the two carboxyl O-atom acceptors of the anion. With the structure of (II), the primary N—H...O interaction is linear. In the structures of (I), (II) and (III), the second N—H...Ocarboxylhydrogen bond generates one-dimensional chain structures extending in all cases along [100]. With (IV), the ion pairs are linked though inversion-related N—H...O hydrogen bonds [graph setR42(8)], giving a cyclic heterotetrameric structure.

scholarly journals Two metal–organic frameworks based on Sr2+ and 1,2,4,5-tetrakis(4-carboxyphenyl)benzene linkers

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Muhammad Usman ◽  
Lydia Ogebule ◽  
Raúl Castañeda ◽  
Evgenii Oskolkov ◽  
Tatiana Timofeeva
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Crystal Structures ◽  
Structural Control ◽  
Metal Organic Frameworks ◽  
X Ray Diffraction ◽  
X Ray ◽  
Metal Organic ◽  
Solvent Systems ◽  
Semiconductor Properties

Two structurally different metal–organic frameworks based on Sr2+ ions and 1,2,4,5-tetrakis(4-carboxyphenyl)benzene linkers have been synthesized solvothermally in different solvent systems and studied with single-crystal X-ray diffraction technique. These are poly[[μ12-4,4′,4′′,4′′′-(benzene-1,2,4,5-tetrayl)tetrabenzoato](dimethylformamide)distrontium(II)], [Sr2(C34H18O8)(C3H7NO)2] n , and poly[tetraaqua{μ2-4,4′-[4,5-bis(4-carboxyphenyl)benzene-1,2-diyl]dibenzoato}tristrontium(II)], [Sr3(C34H20O8)2(H2O)4]. The differences are noted between the crystal structures and coordination modes of these two MOFs, which are responsible for their semiconductor properties, where structural control over the bandgap is desirable. Hydrogen bonding is present in only one of the compounds, suggesting it has a slightly higher structural stability.

scholarly journals Structural Variations in Manganese Halide Chain Compounds Mediated by Methylimidazolium Isomers

Crystals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 930
Author(s):  
Ceng Han ◽  
David B. Cordes ◽  
Alexandra M. Z. Slawin ◽  
Philip Lightfoot
Keyword(s):  
Hydrogen Bonding ◽  
Ambient Temperature ◽  
X Ray Diffraction ◽  
Structural Variations ◽  
One Dimensional ◽  
X Ray ◽  
Chain Compounds ◽  
Red Luminescence ◽  
New Compounds ◽  
Related Compounds

The structures of two new hybrid organic–inorganic manganese halide compounds [1MiH]MnCl3(H2O) and [4MiH]MnCl3(H2O) ([1MiH] = 1-methylimidazolium, [4MiH] = 4-methylimidazolium) have been determined by single crystal X-ray diffraction. Both are composed of one dimensional [MnCl3(H2O)]n− edge-sharing octahedral chains. The structures are compared to the previously reported isomeric analogue [2MiH]MnCl3(H2O) ([2MiH] = 2-methylimidazolium), and three closely related compounds. The variations in packing of the inorganic chains are shown to be influenced by hydrogen bonding abilities of the imidazolium or related moieties. Both new compounds show intense red luminescence at ambient temperature under UV irradiation.

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