The Crystal Structure of a Spirocyclic Cyclophosphazene N3P3(NMe2)4(NHCH2CH2NH) - Evidence for Intermolecular Hydrogen Bonding

Abstract An X-ray crystal structure analysis of tetrakis(dimethylamino)(ethylenediamino)cyclotriphosphazene reveals a novel spirocyclic structure with the spiro ring having an envelope conformation. There is evidence for an intermolecular N-H ··· N bond in the crystal which persists in solution

Download Full-text

Synthesis and X-ray Crystal Studies of 6-(2-chlorophenyl)-3-methyl[1,2,4] triazolo[4,5-b][1,3,4]thiadiazole

Journal of Chemical Research ◽

10.3184/0308234054213456 ◽

2005 ◽

Vol 2005 (4) ◽

pp. 238-239 ◽

Cited By ~ 1

Author(s):

Shivananju Nanjunda-Swamy ◽

Basappa ◽

Gangadharaiah Sarala ◽

Basappa Prabhuswamy ◽

Sridhar M. Anandalwar ◽

...

Keyword(s):

Crystal Structure ◽

Hydrogen Bonding ◽

Structure Analysis ◽

Title Compound ◽

Molecular Hydrogen ◽

Crystal Structure Analysis ◽

Spectroscopic Techniques ◽

Space Group ◽

X Ray ◽

Cell Parameters

The compound 6-(2-chlorophenyl)-3-methyl[1,2,4]triazolo[4,5-b][1,3,4]thiadiazole, was synthesised using different reagents and conditions, characterised by spectroscopic techniques and finally confirmed by X-ray crystal structure analysis. The title compound crystallises in monoclinic class under the space group P21/c with cell parameters, a=10.6710 (6)Å, b=7.3660 (4)Å, c=14.3900 (8)Å, β=110.403 (3)°, Z=2 and R1= 0.0396 for 2715 reflections [I>2ΣI]. The structure exhibits inter-molecular hydrogen bonding.

Download Full-text

Preparative-scale HPLC Resolution of Metallacyclic η3-Allyltricarbonyliron Complexes and Determination of the Absolute Configuration by X-Ray Crystal Structure Analysis

Journal of Chemical Research ◽

10.1177/174751989902300930 ◽

1999 ◽

Vol 23 (9) ◽

pp. 578-579

Author(s):

Rainer Schobert ◽

Hermann Pfab ◽

Jutta Böhmer ◽

Frank Hampel ◽

Andreas Werner

Keyword(s):

Crystal Structure ◽

Silica Gel ◽

Structure Analysis ◽

Absolute Configuration ◽

Crystal Structure Analysis ◽

Preparative Scale ◽

X Ray ◽

The Absolute

Racemates of (η3-allyl)tricarbonyliron lactone complex Fe(CO)3{η1:η3-C(O)XCH2CHCMeCH2} 1a (X = O) and (η3-allyl)tricarbonyliron lactam complex 2a (X = NMe) are resolved on a preparative scale by HPLC on cellulose tris(3,5-dimethylphenyl)carbamate/silica gel RP-8 and the absolute configuration of (-)-2a is determined by X-ray crystal structure analysis.

Download Full-text

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.

Download Full-text