Solvent molecule
![Crystal structure of (diethyl ether κO)[5,10,15,20 tetrakis(2 isothiocyanatophenyl)porphyrinato κ4N]zinc diethyl ether solvate](data:image/gif;base64,R0lGODlhAQABAIAAAP///wAAACH5BAEAAAAALAAAAAABAAEAAAICRAEAOw==)
Crystal structure of (diethyl ether κO)[5,10,15,20 tetrakis(2 isothiocyanatophenyl)porphyrinato κ4N]zinc diethyl ether solvate
... ether molecule in a slightly distorted square- pyramidal environment with the diethyl ether molecule in the apical ...the solvent molecule is not positioned exactly on the twofold rotation ...
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1,2,3,4 Tetraphenylbutane 1,4 dione benzene solvate and a brief analysis of the solvated organic structures in the Cambridge Structural Database
... the solvent benzene molecule may indicate a weak intermolecular interaction between atom H16 and the C1–C6 phenyl ...benzene solvent molecule, we analyzed the organic structures reported to ...
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Bis(1H benzotriazole κN3)bis(isothiocyanato κN)zinc(II) 1H benzotriazole hemisolvate
... The four coordinated benzotriazole rings, viz. C1±C6/N1± N3, C7±12/N4±N6, C13±C18/N7±N9 and C19±C24/N10±N12, are planar, with r.m.s. deviations of 0.009 (2), 0.006 (3), 0.009 (2) and 0.013 (3) AÊ, respectively. The ...
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trans Chloro(4 nitrobenzenethiolato S)bis(triphenylphosphine P)palladium(II) 1,2 dichloroethane hemisolvate at 120 K
... although this has no obvious effect upon the NÐO bond lengths (Table 1). As shown in Fig. 2, these contacts occur in pairs related by crystallographic centres of symmetry and are found in columns parallel to b, centred ...
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2 Hydroxy (2 methyl 1H indol 3 ylmethylidene)benzohydrazide ethanol solvate
... ethanol solvent molecule is a hydrogen-bond donor to the amide group and a hydrogen-bond acceptor for the indolyl NH group of an adjacent Schiff base ...
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catena Poly[[bis(pyridine κN)zinc] μ 5 carboxybenzene 1,3 dicarboxylato κ2O1:O3]
... the solvent-free and solvent-containing structures can be accounted for by the absence of the ethanol solvent molecule and the use of the converging pair of O atoms in the bis-monodentate ...
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Isolation and extraction of lucidin primeveroside from Rubia tinctorum L. and crystal structure elucidation
... The crystal structure has up to 10 hydrogen bond interactions (Figure 4) which form the crystal lattice, several of these are intermolecular (some occurring via the methanol solvent molecule) and one is an ...
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Crystal structure of ethyl 3 amino 6 methyl 2 [(4 methylphenyl)carbamoyl] 4 [(E) 2 phenylethenyl]thieno[2,3 b]pyridine 5 carboxylate monohydrate
... Crystal data, data collection and structure refinement details are summarized in Table 2. C-bound H atoms were placed in calculated positions (C—H = 0.95–0.99 A ˚ ) while those attached to N or O atoms were placed in ...
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Ethyl 5′′ (2,6 dichlorophenyl) 1′ methyl 4 (1 naphthyl) 2,3′′ dioxo 2,3,2′′,3′′ tetrahydro 1H indole 3 spiro 2′ pyrrolidine 3′ spiro 2′′ thiazolo[3′′,2′′ a]pyrimidine 6′′ carboxylate ethyl acetate hemisolvate
... spiro molecules and an ethyl acetate solvent molecule. In both spiro molecules, the pyrrolidine ring adopts an envelope conformation. The thiazolidine and oxindole moieties are slightly distorted from ...
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μ Oxo bis{chloro[N (2 methoxyethyl) N,N bis(pyridin 2 ylmethyl)amine κ4 N,N′,N′′,O]iron(III)} bis(trifluoromethanesulfonate) acetonitrile disolvate
... acetonitrile solvent molecule was described with a two-site disorder model, with occupancy ratio ...acetonitrile solvent molecule were refined as rigid groups, allowing for rotation around the ...
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catena Poly[[aquazinc(II)] μ N,N′ bis(2 cyano 3 ethoxy 3 oxoprop 1 enyl)benzene 1,2 diaminido]
... coordinating solvent water molecule whereas the complete octahedral coordination sphere is completed by coordination of one N atom from a CN group of a neighbouring molecule, leading to the final ...
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2 (3 Benzoylthioureido)ethanoic acid dimethyl sulfoxide solvate
... thiourea molecule interacts with the dimethylsulfoxide solvent molecule via an inter- molecular O—H O hydrogen bond (Table 2) between the hydroxy group of the ethanoic acid fragment and the O atom of ...
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n Propyl gallate–chloroform (3/0 5)
... each molecule, between one OH group and the O atom of another (Table 2), ...the solvent molecule, this gives an interesting picture, as illustrated in ...
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Bis(1,10 phenanthroline κ2N,N′)(sulfato κO)copper(II) ethanol monosolvate
... The ethanol solvent molecule is disordered over two positions, related by a rotation of approximately 180° about the C —C bond. The atoms of each orientation were identified in difference Fourier maps. The ...
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Highly Porous Hydrogen-Bond Networks from a Triptycene-Based Catechol
... bilayer hydrogen bond network parallel to [10 2 ], whose topology depends on the unique water molecule which is disordered between two- and three-connected sites. The crystallographically ordered connections ...
5
N [2 (2,2 Dimethylpropanamido)pyrimidin 4 yl] 2,2 dimethylpropanamide n hexane 0 25 solvate hemihydrate
... of molecule 1 as well as some atoms of hexane solvent molecule (C20 and all H-atoms) were refined as disordered over two sets of sites with occupancies fixed at ...
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Schmitz, Matthias (2004): Entwicklung, Anwendung und Vergleich von Methoden zur Berechnung von Infrarotspektren einzelner Moleküle in polaren Lösungsmitteln. Dissertation, LMU München: Fakultät für Physik
... solute molecule by density functional theory and the solvent by molecular mechanics by the so-called instantaneous normal mode analysis 共INMA兲 or by Fourier transforming the time correlation function 共 ...
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Molecular Design of Side Group Liquid Crystalline Polymers: Understanding Their Interactions with Small Molecule Liquid Crystal Solvent
... organic solvent [14]) are added directly to the reaction flask, which is then purged with inert gas, then sealed and heated at 90 ◦ C for approximately 3 days (this process takes longer than the ...
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Density, Viscosity and Refractive Index Studies of Metformin HCl in Aqueous System at 303.15K.
... Abstract: - Density, Viscosity and Refractive Index of drug molecule Metformin HCl (MFH) in aqueous solution at different concentrations have been determined. The density, viscosity and refractive index data have ...
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Diaquabis(4 formylbenzoato κO)zinc(II)
... Comment A pseuodpolymorph of the title compound containing a solvent water molecule was isolated from the reaction of zinc acetate and 4-formylbenzoic acid in the presence of sodium hydr[r] ...
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