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Crystal data and structure refinement for 5.5

Crystal structure of [UO2(NH3)5]NO3·NH3

Crystal structure of [UO2(NH3)5]NO3·NH3

... 5. Refinement Crystal data, data collection and structure refinement details are summarized in Table ...The structure was solved by the heavy-atom method and all ...

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5 Methyl 1,3 phenyl­ene bis­­[5 (di­methyl­amino)­naphthalene 1 sulfonate]: crystal structure and DFT calculations

5 Methyl 1,3 phenyl­ene bis­­[5 (di­methyl­amino)­naphthalene 1 sulfonate]: crystal structure and DFT calculations

... yield. Light-green block-like crystals were grown in chloro- form at room temperature. 7. Refinement Crystal data, data collection and structure refinement details are summarized ...

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5. Crystal Structure Determinations

5. Crystal Structure Determinations

... In order to rationalise certain characteristics (like electron-donating properties, aromaticity and rigidity of bulky groups) of complexes with no or very little data available , it is helpful to do so in context ...

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Crystal structure of 5 hy­dr­oxy 5 propyl­barbituric acid

Crystal structure of 5 hy­dr­oxy 5 propyl­barbituric acid

... 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 ...

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Crystal structure of Na2HfSi2O7 by Rietveld refinement

Crystal structure of Na2HfSi2O7 by Rietveld refinement

... The structure of triclinic disodium hafnium disilicate, Na 2 HfSi 2 O 7 , has been determined by laboratory powder X-ray diffraction and refined by the Rietveld ...The structure is a framework made of ...

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Crystal structure of 5 hy­dr­oxy­methyl 2 meth­­oxy­phenol

Crystal structure of 5 hy­dr­oxy­methyl 2 meth­­oxy­phenol

... quinolinic central nucleus and alcoholic –OH group at the side-chains exhibited anti-mycobacterial activity (Matteelli et al., 2010). β-Amino alcohols are a class of compounds with a wide range of bioactivities, such as ...

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Crystal structure of 4,6 di­chloro 5 methyl­pyrimidine

Crystal structure of 4,6 di­chloro 5 methyl­pyrimidine

... The molecular structure of the title compound is shown in Fig. 1. The molecule is planar, as is typical in benzenes substituted by halogen atoms and methyl groups, with an r.m.s. deviation for all non-H atoms of ...

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Crystal structure of 5 tert but­yl 10,15,20 tri­phenyl­porphyrin

Crystal structure of 5 tert but­yl 10,15,20 tri­phenyl­porphyrin

... The structure was refined as a two-component inversion ...of 5-tert-butyl- porphyrin following a reported literature procedure for similar compounds (Fazekas et ...

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Crystal structure of 2 amino 5 nitro­pyridinium sulfamate

Crystal structure of 2 amino 5 nitro­pyridinium sulfamate

... 4. Database survey A search of the Cambridge Structural Database (CSD, Version 5.35, May 2014; Groom & Allen, 2014) for the cation 2-amino-5-nitropyridinium gave 42 hits for which there were 36 hits with atomic ...

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Crystal structure of 5 tert butyl 10,15,20 triphenylporphyrin

Crystal structure of 5 tert butyl 10,15,20 triphenylporphyrin

... The structure was refined as a two-component inversion ...of 5-tert-butyl- porphyrin following a reported literature procedure for similar compounds (Fazekas et ...

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Crystal structure of rac 3,9 bis­­(2,6 di­fluoro­phen­yl) 2,4,8,10 tetra­oxa­spiro[5 5]undeca­ne

Crystal structure of rac 3,9 bis­­(2,6 di­fluoro­phen­yl) 2,4,8,10 tetra­oxa­spiro[5 5]undeca­ne

... 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 ...

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Crystal structure of (5Z) 5 (5 bromo 2 hy­dr­oxy­benzyl­­idene) 1,3 thia­zolidine 2,4 dione

Crystal structure of (5Z) 5 (5 bromo 2 hy­dr­oxy­benzyl­­idene) 1,3 thia­zolidine 2,4 dione

... Experimental . The diffraction data were obtained from 3 sets of 400 frames, each of width 0.5° in ω, colllected at φ = 0.00, 90.00 and 180.00° and 2 sets of 800 frames, each of width 0.45° in φ, collected at ω = ...

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Crystal structure of 1 ethyl 5 iodo­indolin 2 one

Crystal structure of 1 ethyl 5 iodo­indolin 2 one

... Experimental . Scan width 0.4° ω, Crystal to detector distance 6.20 cm, exposure time 20 s, 17 h for data collection Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) ...

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Crystal structure of 3 methyl 5 tri­methyl­silyl 1H pyrazole

Crystal structure of 3 methyl 5 tri­methyl­silyl 1H pyrazole

... S1. Chemical context Pyrazoles, particularly 3,5-disubstituted pyrazoles have found widespread use in the preparation of trispyrazolylborate salts. The trispyrazolylborates make excellent supporting ligands for ...

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Crystal structure of (2 benzyl­­oxy­pyrimidin 5 yl)boronic acid

Crystal structure of (2 benzyl­­oxy­pyrimidin 5 yl)boronic acid

... 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 ...

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Crystal structure of N-(2-hydroxy-5-methylphenyl)benzamide

Crystal structure of N-(2-hydroxy-5-methylphenyl)benzamide

... correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ...

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Crystal structure of 5 [2 (2,4,6 tri­bromo­phen­yl)diazen­yl]tropolone

Crystal structure of 5 [2 (2,4,6 tri­bromo­phen­yl)diazen­yl]tropolone

... and 5-phenyltropolone show large regions of ...and 5-phenyltropolone, it can be seen that the molecules are essentially planar, as mentioned previously, with 5-phenyltropolone having a dihedral angle ...

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Crystal structure of 5 (dibenzo­furan 4 yl) 2′ de­oxy­uridine

Crystal structure of 5 (dibenzo­furan 4 yl) 2′ de­oxy­uridine

... 2. Structural commentary The title compound crystallizes in the orthorhombic space group P2 1 2 1 2 1 with four molecules in the unit cell. The two aromatic systems (pyrimidine and dibenzofuranyl), which are connected by ...

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Crystal structure and hydrogen bonding patterns in 5 fluoro­cytosinium picrate

Crystal structure and hydrogen bonding patterns in 5 fluoro­cytosinium picrate

... 5. Synthesis and crystallization A hot aqueous solution of 5-fluorocytosine (32 mg) and picric acid (57 mg) were mixed in a 1:1 molar ratio. The resulting solution was warmed to 353 K wrong symmetry ...

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Crystal structure of 5 [(4 carb­­oxy­benz­yl)­­oxy]isophthalic acid

Crystal structure of 5 [(4 carb­­oxy­benz­yl)­­oxy]isophthalic acid

... The design and synthesis of coordination polymers continues to attract interest due to their architectures as well as their potential applications (Erxleben, 2003). Recently, the rational design and synthesis of novel ...

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