IDENTIFICATION OF SUPRAMOLECULAR DIMERS 
IN THE CRYSTAL STRUCTURE OF (Z)-1-(((5-FLUOROPYRIDIN-2-YL)AMINO)METHYLENE)NAPHTHALEN-2(1H)-ONE 
via C(sp2)–H⋯F HYDROGEN BONDING: A COMBINED 
EXPERIMENTAL AND THEORETICAL STUDY

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

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A New Organic–Inorganic Hybrid Compound (NH3(CH2)C6H4CO2H)[SnCl6]: Synthesis, crystal structure, vibrational, optical, magnetic properties and theoretical study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130129 ◽

2021 ◽

pp. 130129

Author(s):

A. Kaiba ◽

Faisal. Al Otaibi ◽

Mohammed H. Geesi ◽

Yassine Riadi ◽

Talal A. Aljohani ◽

...

Keyword(s):

Crystal Structure ◽

Magnetic Properties ◽

Theoretical Study ◽

Hybrid Compound ◽

Inorganic Hybrid

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Hydrogen bonding versus packing effects in the crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II), C10H16I4ZnN2

Zeitschrift für Kristallographie - New Crystal Structures ◽

10.1515/ncrs-2020-0123 ◽

2020 ◽

Vol 235 (4) ◽

pp. 959-962

Author(s):

Guido J. Reiss ◽

Alena Sergeeva

Keyword(s):

Crystal Structure ◽

Hydrogen Bonding ◽

Packing Effects

AbstractC10H16I4ZnN2, monoclinic, P21 (no. 4), a = 7.3340(1) Å, b = 14.4781(3) Å, c = 8.6768(2) Å, β = 94.919(2)°, V = 917.93(3) Å3, Z = 2, Rgt(F) = 0.0165, wRref(F2) = 0.0397, T = 110 K.

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Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽

10.3390/chemistry3010013 ◽

2021 ◽

Vol 3 (1) ◽

pp. 149-163

Author(s):

Duncan Micallef ◽

Liana Vella-Zarb ◽

Ulrich Baisch

Keyword(s):

Crystal Structure ◽

Mass Spectrometry ◽

Nuclear Magnetic Resonance ◽

Hydrogen Bonding ◽

Nmr Spectroscopy ◽

Ir Spectroscopy ◽

Room Temperature ◽

Intermolecular Hydrogen Bonding ◽

X Ray Diffraction ◽

X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

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