Crystal data and structure refinement for 3.1
Crystal structure of 3 amino 1 propylpyridinium bromide
... 6. Refinement The details of crystal data, data collection and structure refinement are summarized in Table ...of refinement, the H atoms bound to atom N2 were refined ...
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Crystal structure of 1 methylimidazole 3 oxide monohydrate
... 6. Refinement Crystal data, data collection and structure refinement details are summarized in Table ...The data were not of a sufficient quality to reliably determine the ...
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New refinement of the crystal structure of Zn(NH3)2Cl2 at 100 K
... 4. Refinement Crystal data, data collection and structure refinement details are summarized in Table 2. Unlike the two previous refine- ments in space group Imam, the unit cell ...
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Crystal structure of 3 [(E) (2 hydroxy 3 methoxybenzylidene)amino] 1 methyl 1 phenylthiourea
... 6. Refinement Crystal data, data collection and structure refinement details are summarized in Table 2. H atoms were localized in a difference-Fourier map. H atoms bound to O and ...
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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 3 aminopyridinium 1′ carboxyferrocene 1 carboxylate
... The structure of the title salt, (C 5 H 7 N 2 )[Fe(C 6 H 4 O 2 )(C 6 H 5 O 2 )], consists of 3-aminopyridinium cations and 1 0 -carboxyferrocene-1-carboxylate ...sandwich structure, ...
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Crystal structure of 1 (2 aminophenyl) 3 phenylurea
... . Refinement of F 2 against ALL ...ALL data will be even ...the refinement, analysis of the data with the TWINROTMAT routine in PLATON (Spek, 2014) indicated the presence of a minor twin ...
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Crystal structure of 2,5 dimethyl 3 (3 methylphenylsulfonyl) 1 benzofuran
... Geometry . All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, ...
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Reinvestigation of the crystal structure of Ca2Ce8(SiO4)6O2 apatite by Rietveld refinement
... hexagonal crystal system in space group P6 3 ...present structure, type I cations are statistically occupied by Ca and Ce whereas type II cations are solely occupied by ...
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Crystal structure of 1 isopropyl 4,7 dimethyl 3 nitronaphthalene
... (Table 1), forming a chain along [101] ...dichloromethane, 3 ml of nitric acid and 5 ml of concentrated sulfuric ...of 1-isopropyl-4,7-dimethylnaphthalene dissolved in 30 ml of ...
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Crystal structure of 3 hydroxymethyl 1,2,3,4 tetrahydroisoquinolin 1 one
... 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 1 benzoyl 3 (4 fluorophenyl)thiourea
... S1. Synthesis and crystallization Benzoylisothiocyanate (1 g, 6.13 mmol) was dissolved in acetone (50 ml) and allowed to stirr for an hour. Then 4- flouroaniline(0.68 g, 6.13 mmol) was added to the above mixture ...
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Crystal structure of 3 benzyl 1 [(cyclohexylidene)amino]thiourea
... An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement . Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of ...
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Crystal structure of the co-crystal butylparaben– isonicotinamide (1/1)
... 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 the co crystal butylparaben–isonicotinamide (1/1)
... 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 1 methoxypyrene
... the 1-, 3-, 6- and 8-positions, pyrene is often functionalized at these positions in order to improve its ...compound, 1-methoxypyrene, appears in the literature as an important intermediate in the ...
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Section 1: Crystal Structure
... a 1 , y is a fractional multiple of a2 and z is a fractional multiple of ...(1/x 1/y 1/z) and reduce this set to a similar one having the smallest integers by multiplying by a common ...points ...
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Crystal structure of 3 carbamothioylpyridinium thiocyanate
... 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 3 (diethylamino)phenol
... The molecular structure of the title compound has two molecules in the asymmetric unit. Each molecule has a near planar C 8 NO unit excluding hydrogens and the terminal methyls on the diethylamino groups (C8, C10 ...
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Crystal structure of 3 ethynylbenzoic acid
... in crystal engineering (Dai et ...its crystal structure. Only the crystal structure of the ester, 4-ethynylmethylbenzoate, has been described previously (Dai et ...
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