[PDF] Top 20 Crystal structures of (acetonitrile κN)tris(pyridine 4 thioamide κN)bis(thiocyanate κN)cobalt(II) acetonitrile disolvate and tetrakis(pyridine 4 thioamide κN)bis(thiocyanate κN)nickel(II) methanol pentasolvate
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Crystal structure of febuxostat–acetic acid (1/1)
... For general apllications of febuxostat in medicine, see: Pascual et al. (2009); Kataoka et al. (2015); Gray & Walters-Smith (2011). For the synthesis, polymorphism, stability and bioa- vailabitily of febuxostat, see: ... See full document
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2′,2′ Dibenzylideneisophthalohydrazide methanol solvate
... observed in many hydrazone compounds. The N1—C7 and N4—C16 bond lengths are close to the value of 1.280 (5) A ˚ found for the imine bond length in p-dimethylenedioxy- benzaldehyde 2,4-dinitrobenzoylhydrazone (Wang et ... See full document
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Triphenylphosphine-( N-dimethyldithiocarbamato) -gold(I) Methanol Solvate
... single crystal X-ray ...the crystal structure and the DFT-calculated Raman spectrum also is in excellent agreement with the experimental ...single crystal X-ray diffraction; DFT calculations ... See full document
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Risperidone N oxide hydrogen peroxide methanol solvate
... The crystal structure determination was undertaken to compare the structural features with that of risperidone itself and with other known serotonin and dopamine antagonists in the hope of obtaining a better ... See full document
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Carbamazepine N,N dimethylformamide solvate
... (8) dimer motif observed in all of the known polymorphs and the majority of CBZ solvate crystal structures (Fleischman et al., 2003) (Fig. 2). CBZ also forms a second N—H O contact to atom O2 of the ... See full document
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2 [(3,3 Dimethylindolin 2 ylidene)methyl] 4 [(3,3 dimethyl 3H indol 1 ium 2 yl)methylidene] 3 oxocyclobut 1 en 1 olate chloroform disolvate
... compound solvate as large green-black crystal prisms and its crystal structure is reported on ...The structures of all other members of this series of N-alkyl-substituted squaraine dyes have ... See full document
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A prolific solvate former, galunisertib, under the pressure of crystal structure prediction, produces ten diverse polymorphs
... With crystal structures having been determined for all ten of the neat forms, GAL is unsurpassed in having the largest number of known polymorph ...further structures and are hence more polymorphic ... See full document
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Tautomeric 6 oxoisocytidine (methanol solvate)
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ... See full document
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3 Indolylformaldehyde isonicotinoylhydrazone methanol solvate
... It can be seen that the molecule is in the keto form and that the configuration of the N3—C7 bond is E. The bonds and angles observed in this structure are normal and the molecule is practically planar. As the distances ... See full document
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Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6 diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (LnIII = Tb and Dy)
... In the crystals, the lanthanide complexes are connected by O—H Cl, N—H Cl, O—H O, C—H Cl and C— H O hydrogen bonds (Tables 2 and 3). The representative crystal structure of the Tb III complex is discussed here and ... See full document
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(1H Benzimidazole κN3)[3 methoxysalicylaldehyde (4 methoxybenzoyl)hydrazonato κ3O,N,O′]copper(II) methanol solvate
... The crystal structure is stabilized through intermolecular hydrogen bonds between the hydroxyl H atom of methanol and the uncoordinated hydrazidic N atom of an adjacent molecule, and the hydroxyl O atom of ... See full document
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cis Bis(2,2 bipyridine)dichloronickel(II) methanol solvate
... (Long & Clarke, 1978). The molecule adopts a pseudo-octa- hedral geometry with NÐNiÐN bite angles of 77.75 (14) and 78.00 (14) AÊ, and cis angles between 87.84 (10) and 97.58 (13) AÊ; trans angles are close to ... See full document
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N,N′ Dibenzyl 4,7 phenanthrolinium dibromide methanol solvate
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ... See full document
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3β Hydroxyolean 12 en 27 oic acid methanol solvate: a cytotoxic and apoptosis inducing triterpenoid from the rhizome of Astilbe chinensis
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ... See full document
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Molecular and crystal structure of gossypol tetramethyl ether with an unknown solvate
... A search in the Cambridge Structural Database (Version 5.33, last update November 2013; Groom & Allen, 2014) indicated the presence of 191 entries for gossypol (137 entries) or gossypol derivatives. However, only ... See full document
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Predicted crystal energy landscapes of porous organic cages
... energy structures on the CC3 landscape, but the global minimum CC3-RS and CC3-R struc- tures remain unchanged from the force eld-based ...the solvate and desolvated crystal structures of ... See full document
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Dichloro(methanol κO)[3 methoxysalicylaldehyde (4 methoxybenzoyl)hydrazonato κ3O,O′,N]iron(III) methanol solvate
... The biological activities and chemical versatilities of metal± hydrazone complexes continue to attract considerable atten- tion. A number of metal complexes with hydrazone ligands have been structurally characterized to ... See full document
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4,4′ (Cyclohexane 1,1 diyl)diphenol methanol solvate
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ... See full document
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2,2′ (Iminodimethylene)dibenzimidazolium bis(perchlorate) methanol solvate
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ... See full document
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Methyl [hydroxy(phenyl)phosphonomethyl]phosphonate methanol solvate
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ... See full document
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