Results 131 to 140 of about 9,534 (222)

Synthesis, characterization, crystal structure and Hirshfeld surface analysis of o-tolyloxy acetic acid (1H-indol-3-yl-methylene)-hydrazide

, 2017
o-Tolyloxy acetic acid (1H-indol-3-yl-methylene)-hydrazide was synthesized by treating 2-methyl phenoxy acetic acid hydrazide with indole carboxaldehyde.
Naveen, S., Mohammed, Yasser H. E., Mamatha, S. V., Zabiulla, Khanum, Shaukath Ara, Lokanath, N. K.   +5 more
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Crystal structure and Hirshfeld surface analysis of dimethyl(phenyl)phosphine sulfide

Acta Crystallographica Section E Crystallographic Communications
The title compound, C8H11PS, which melts below room temperature, was crystallized at low temperature. The P—S bond length is 1.9623 (5) Å and the major contributors to the Hirshfeld surface are H...H (58.1%), S...H/H...S (13.4%) and C...H/H...C contacts (11.7%).
Robin Risken, Yasin Mehmet Kuzu, Annika Schmidt, Carsten Strohmann   +3 more
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Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmethyl-1H-benzimidazol-3-ium chloride monohydrate

, 2018
The asymmetric unit of the title compound, C8H11N32+·2Cl−·H2O, contains three organic cations, six chloride anions and three water molecules of crystallization, which are connected by extensive hydrogen-bonding interactions into a three-dimensional ...
Galyna G. Tsapyuk, S. Zeki Yildiz, Pinar Sen, Sevgi Kansiz, Necmi Dege   +4 more
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Bromobismuthates: Cation-induced structural diversity and Hirshfeld surface analysis of cation–anion contacts

, 2020
© 2017 Elsevier Ltd Reactions of [BiBr6]3−and bromide salts of various substituted pyridinium cations in excess of HBr result in a series of bromobismuthate anionic complexes of various geometry and nuclearity: [{BiBr4}n]n−, [Bi2Br9]3−and [Bi2Br10]4 ...

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Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate [PDF]

In the context of the development of synthetic routes that facilitate the incorporation of β-amino acids into peptide synthesis, the synthesis, crystal structure and Hirshfeld surface analysis are reported of fluorenylmethoxycarbonyl (Fmoc) protected β ...
Abubakar Magaji, M., Mubarak Abubakar Magaji, Beining Chen, Chen, B., Craig Collumbine Robertson, Robertson, C.C.   +5 more
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Intermolecular interactions in crystalline 1-(adamantane-1-carbonyl)-3-substituted thioureas with Hirshfeld surface analysis [PDF]

, 2019
The conformationally congested species 1-(adamantane-1-carbonyl)-3-(2,4,6-trimethylphenyl)thiourea has been prepared and fully characterized by elemental analyses, FTIR, 1H NMR, 13C NMR and mass spectrometry.
Bolte, Michael, Erben, Mauricio Federico, Pérez, Hiram, Saeed, Aamer   +3 more
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Crystal structure and Hirshfeld surface analysis of (E)-1-[(4,7-dimethylquinolin-2-yl)methylidene]semicarbazide dihydrate

, 2018
In the title compound, C13H14N4O·2H2O, the organic molecule is almost planar. In the crystal, the molecules are linked by O—H...O, N—H...O and O—H...N hydrogen bonds, forming a two-dimensional network parallel to (10\overline{1}).
Sevgi Kansiz, Necmi Dege, Ercan Aydemir, Snizhana V. Gaidai, Hasan Genc   +4 more
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Crystal structure and Hirshfeld surface of a pentaaminecopper(II) complex with urea and chloride

Acta Crystallographica Section E Crystallographic Communications
The reaction of copper(II) oxalate and hexamethylenetetramine in a deep eutectic solvent made of urea and choline chloride produced crystals of pentaaminecopper(II) dichloride–urea (1/1), [Cu(NH3)5]Cl2·CO(NH2)2, which was characterized by single-crystal X-ray diffraction.
Olivia D. Breen, Tony D. Keene
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Crystal structure and Hirshfeld surface analysis of (E)-2-cyano-N′-(3,4,5-trimethoxybenzylidene)acetohydrazide

In the title compound, C13H15N3O4, the 2-cyano-N′-methylideneacetohydrazide moiety and the trimethoxy phenol ring form a dihedral angle of 13.8 (1)°. Intermolecular N—H...O and C—H...O hydrogen bonds are observed.
Srinivasan Senthilkumar, Subramani Uma Maheswari, Sivashanmugam Selvanayagam   +2 more
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New results of Hirshfeld type atoms in molecules

, 2009
The Hirshfeld atom-in-molecule (AIM) approach was introduced several decades ago1 and raised a lot of interest, mainly in the DFT community. Among the main reasons was certainly the link to information entropy described by Parr and Nalewajski2 and the ...
Bultinck, Patrick
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