[PDF] Top 20 Los ecosistemas de emprendimiento como parte de la estrategia de desarrollo de una región
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Bis[N (2 hydroxyethyl) N isopropyldithiocarbamato κ2S,S′](piperazine κN)cadmium: crystal structure and Hirshfeld surface analysis
... an analysis of the enrichment ratios (ER) that give a quantitative measure of the likelihood of specific intermolecular interactions to occur based on a Hirshfeld surface analysis (Jelsch et ...the ... See full document
124
Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non coordinated benzoate
... The crystal structure displays an extensive hydrogen-bonding network (Table 2). The crystal packing of the title compound (Fig. 2) features N—H O and O—H O hydrogen bonds, which connect the cations ... See full document
114
Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E) 4 bromo N′ (4 methoxybenzylidene)benzohydrazide
... (6) graph-set motif. The chains are further linked into a three- dimensional network by C—H interactions. A Hirshfeld surface analysis indicates that the most important contributions to the crystal ... See full document
12
Crystal structure and Hirshfeld surface analysis of 2,5 dibromoterephthalic acid ethylene glycol monosolvate
... in crystal engineering to drive the self- assembly of functional supramolecular networks through intermolecular interactions such as hydrogen bonds, halogen bonds, and aromatic – stacking interactions (Lemmerer, ... See full document
157
Crystal structure and Hirshfeld surface analysis of 2,4,6,11 tetrakis(4 fluorophenyl) 9 oxa 1,5 diazatricyclo[5 3 1 03 8]undecane
... In the crystal, several C—H F hydrogen bonds occur. Screw- related molecules are linked by C32—H32 F4 iii and C1— H1 F4 iii hydrogen bonds with F4 acting as a bifurcated acceptor (Table 1). The molecules are ... See full document
123
Synthesis, crystal structure and Hirshfeld analysis of a new crystalline modification of the radical ion salt octamethylenetetrathiafulvalenium triiodide (OMTTF)I3
... as Hirshfeld surfaces (Hirshfeld, 1977) and some others as ‘ball-and-stick’ models for ...the crystal packing are shown as two-dimensional Hirshfeld surface fingerprint plots with cyan ... See full document
20
Crystal structure and Hirshfeld surface analysis of N,N′ bis(2 nitrophenyl)glutaramide
... the crystal, the A and B molecules are linked by intermolecular amide-to-amide N—H O hydrogen bonds, resulting in chains running along the b-axis ...using Hirshfeld surface ... See full document
166
Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3 cyclohexanebis(methylammonium): [3 (azaniumylmethyl)cyclohexyl]methanaminium dinitrate
... the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—H O hydrogen-bonding interactions; these layers are formed by infinite undulating chains running parallel to the [001] ... See full document
228
Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E) N′ (3 hydroxy 4 methoxybenzylidene)nicotinohydrazide monohydrate
... 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, ... See full document
137
Crystal structure, Hirshfeld surface analysis and frontier molecular orbital analysis of (E) 4 bromo N′ (2,3 dichlorobenzylidene)benzohydrazide
... the structure of DNA (Tiwari et ...the crystal structure, the Hirshfeld surface analysis and the mol- ecular orbital analysis of the title compound, (E)-4-bromo-N 0 - ... See full document
135
Crystal structure and Hirshfeld surface analysis of diaquabis(isonicotinamide κN)bis(2,4,6 trimethylbenzoato κO1)nickel(II) dihydrate
... The crystal structure of NA was first determined in 1954 (Wright & King, ...the crystal structures of metal complexes with benzoic acid derivatives, which are of interest because of the number of ... See full document
154
m Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis
... (Fig. 2) and the overall structure of the title compound consists of infinite sheets of organic and inorganic entities propagating parallel to (100). Each organic dication is connected to six different sulfate ... See full document
7
Crystal structure and Hirshfeld surface analysis of 2 (1H indol 3 yl)ethanaminium acetate hemihydrate
... The title compound was synthesized by the reaction of a 1:1 stoichiometric mixture of tryptamine (0.160 mg, Aldrich) and acetic acid (0.060 mg, Merck) in a hot methanolic solution (20 ml) with 10 ml of water. After ... See full document
69
Hirshfeld surface analysis and crystal structure of N (2 methoxyphenyl)acetamide
... solve structure: SHELXT2018 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015b); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et ... See full document
255
A triclinic polymorph of tricyclohexylphosphane sulfide: crystal structure and Hirshfeld surface analysis
... metric distribution of points in the fingerprint plot delineated into S H/H S contacts for (II) in Fig. 8c is the result of the orientation of the cyclohexane rings with respect to the crys- tallographic mirror plane. ... See full document
157
Crystal structure and Hirshfeld surface analysis of N [(2 hydroxynaphthalen 1 yl)(3 methylphenyl)methyl]acetamide
... spots in Fig. 4 correspond to close H H contacts resulting from the short O—H H contacts, and the white areas, representing distances between neighboring atoms close to the sum of the van der waals radii, indicate N H/H ... See full document
124
Synthesis, crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide κN1)cobalt(II) succinate
... the crystal, these hydrogen-bonded chains are linked into a three- dimensional framework by further O—H O hydrogen bonds and N—H O hydrogen ...bonds. Hirshfeld surface analysis and two-dimensional ... See full document
165
Supramolecular patterns and Hirshfeld surface analysis in the crystal structure of bis(2 amino 4 methoxy 6 methylpyrimidinium) isophthalate
... structure is further stablized by – stacking interactions between the aromatic rings of the pyrimidine cations, having centroid–centroid separations Cg Cg iii of 3.6337 (9) for cation B and Cg Cg iv of 3.7260 (9) ... See full document
112
Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1 [2 ([1,1′ biphenyl] 4 yl) 2 oxoethyl] 3 methyl 1,4 dihydropyridin 4 iminium bromide
... C cationic double bond was verified by the shortened bond length of 1.337 (2) A ˚ . In the crystal, the Br anion is linked to the cation by an N—H Br hydrogen bond. C—H O hydrogen bonds link adjacent ... See full document
71
Crystal structure and Hirshfeld surface analysis of 1,2,4 triazolium hydrogen oxalate
... the crystal, the hydrogen oxalate anions are linked by O— H O hydrogen bonds into chains running parallel to ...network. Hirshfeld surface analysis of the title salt suggests that the most ... See full document
139
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