[PDF] Top 20 Crystal structure of cis 2 (2 carboxycyclopropyl)glycine (CCG III) monohydrate
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Crystal structure of cis 2 (2 carboxycyclopropyl)glycine (CCG III) monohydrate
... conglomerate’ with two molecules of opposite handedness in the asymmetric unit (r.m.s. overlay fit = 0.056 A ˚ for one molecule and its inverted partner). Each molecule exists as a zwitterion, with proton transfer from ... See full document
8
Crystal structure of aqua(nitrato κO)dioxido{2 [3 (pyridin 2 yl κN) 1H 1,2,4 triazol 5 yl κN4]phenolato κO}uranium(VI) acetonitrile monosolvate monohydrate
... complexes with such types of ligands have rarely been investigated. Thus, only three uranyl complexes with 1,2,4-triazole derivatives have been char- acterized (Daro et al., 2001; Weng et al., 2012; Raspertova et al., ... See full document
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Crystal structure of (1S,2R) 2 hydroxy 1,2 diphenylethan 1 aminium (S) 2 azaniumylbutanedioate monohydrate
... The molecular structures of the components of the title salt are shown in Fig. 1, and selected torsion angles are given in Table 1. It can be seen that the hydroxy and protonated amino groups of cis-ADE form a ... See full document
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Crystal structure of bis[4′ (1,4,7,10 tetraoxa 13 azacyclopentadecan 13 yl) 2,2′:6′,2′′ terpyridine]cobalt(III) tris(perchlorate) methanol monosolvate monohydrate
... Crystal data, data collection and structure refinement details are summarized in Table 2. H atoms in the complex cation and the methanol molecule were placed in calculated positions (C—H = 0.93–0.97 ... See full document
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Crystal structure of 1,6 dithiacyclodeca cis 3,cis 8 diene (DTCDD)
... of cis -1,4-dichloro-2-butene and sodium sulfide yielded 1,6-dithia- cyclodeca- cis -3, cis -8-diene ("DTCDD)") as a side ...its structure is not listed in the Cambridge ... See full document
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Crystal structure of cis 1 (2 methyl 1,2,3,4 tetrahydroquinolin 4 yl)azepan 2 one
... the crystal, molecules are linked by N—H O hydrogen bonds, forming supramolecular chains propagated along [101], with weak C— H O interactions occurring between the ... See full document
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Crystal structure of bis(acetato κ2O,O′)diaqua[1 (pyridin 2 ylmethylidene κN) 2 (pyridin 2 yl κN)hydrazine κN1]terbium(III) nitrate monohydrate
... 1,2-diylbis[1-(pyridin-2-yl)methanimine]}-tris(nitrato)terbium (Chen et al., 2013) and {(2,9-diformylphenanthroline)bis[(2- pyridyl)hydrazone]}bis(nitrato)terbium nitrate (Carcelli et al., 2005), though the ... See full document
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Crystal structure of 7 phenyl 7 (2,4,5 trimethyl 3,6 dioxocyclohexa 1,4 dien 1 yl)heptanoate 1,3 dihydroxy 2 (hydroxymethyl)propan 2 aminium monohydrate: a new solid form of seratrodast
... the crystal, the trometamol cations are linked to the water molecules and to each other by N—H O and O—H O hydrogen bonds, forming sheets parallel to (100); see Table 1 and ... See full document
10
Crystal structure of (E) N′ (5 bromo 2 hydroxybenzylidene)nicotinohydrazide monohydrate
... azomethine double bond is E. The molecule exists in the amido form with a C O bond length of 1.229 (2) A ˚ . There is an intramolecular O—H N hydrogen bond forming an S(6) ring motif. The whole molecule is almost ... See full document
7
Crystal structure of 4 acetamidobenzoic acid monohydrate
... The structure of the title compound is shown in Fig. 1, Fig. 2 and hydrogen bond geometry is given in Table ...the crystal, classic O— H···O, N—H···O hydrogen bonds and weak C—H···O hydrogen bond ... See full document
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Crystal structure of (E) N {2 [2 (3 chlorobenzylidene)hydrazinyl] 2 oxoethyl} 4 methylbenzenesulfonamide monohydrate
... The molecular structure of the title compound is illustrated in Fig. 1. The conformations of the N—H and C—H bonds in the hydazone part are syn to each other, while the N—H and C O bonds in the central part and ... See full document
9
Crystal structure of methyl α L rhamnopyranosyl (1→2) α L rhamnopyranoside monohydrate
... title structure has been performed with plane waves and pseudo potentials using NWChem (Valiev et ...optimized structure than the experimental values and some geometrical details, ...DFT-optimized ... See full document
20
Crystal structure of 1 methylimidazole 3 oxide monohydrate
... A search of the Cambridge Structural Database (CSD, Version 5.37 update February 2016; Groom et al., 2016) for the imidazole-3-oxide substructure yielded 16 hits, all of which were genuine examples of substituted ... See full document
7
Crystal structure of {[1′ (diphenylphosphino)ferrocenyl]methyl}dimethylammonium chloride monohydrate
... compound is involved in an N—H Cl hydrogen bond to a proximal chloride anion (for hydrogen-bond parameters, see Table 1). The anions further act as hydrogen-bond acceptors for a pair of inversion-related water molecules, ... See full document
10
Crystal structure of creatininium 5 (2,4 dinitrophenyl) 1,3 dimethylbarbiturate monohydrate: a potential anticonvulsant agent
... name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4- olate monohydrate], the 2,4-dinitrophenyl ring is inclined to the mean ... See full document
10
2,3,4 Trihydroxybenzophenone monohydrate
... the 2-position of the 2,3,4-trihydroxyphenyl ring and the O atom of the carbonyl of the benzoyl group are supposed to be important for formation of a 1,4-benzoxazine derivative of compound ...the crystal ... See full document
9
Crystal structure of 3 [2 (1,3 thiazol 2 yl)diazen 1 yl]pyridine 2,6 diamine monohydrate
... 2-Aminothiazole (1.0 g, 0.009 mol) was dissolved in 6 M hydrochloric acid (16 ml) with sodium nitrite (0.7 g, 0.01 mol). The mixture was stirred at a temperature between 268 and 273 K while a solution of ... See full document
7
Tricaesium citrate monohydrate, Cs3C6H5O7·H2O: crystal structure and DFT comparison
... experimental structure is correct (van de Streek & Neumann, ...determined structure fall within the normal ranges indicated by a Mercury Mogul geometry check (Macrae et ... See full document
12
Crystal structure of cis tetraaquadichloridocobalt(II) sulfolane disolvate
... cation is located on the twofold rotation axis and is coordinated by four water molecules and two adjacent chloride ligands in a slightly distorted octahedral coordination environment. The cisoid angles are in the range ... See full document
7
Crystal structure of zwitterionic 2 [bis(2 methoxyphenyl)phosphaniumyl] 4 methylbenzenesulfonate monohydrate dichloromethane monosolvate
... Phosphane ligands (Allen, 2014) are ubiquitous in coordina- tion and organometallic chemistry and have been used to synthesize a wide variety of metal complexes and catalysts (Hartwig, 2010). Incorporation of additional ... See full document
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