[PDF] Top 20 A monoclinic polymorph of [(Z) N (3 chlorophenyl) O methylthiocarbamato κS](triphenylphosphane κP)gold(I): crystal structure and Hirshfeld surface analysis
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A monoclinic polymorph of [(Z) N (3 chlorophenyl) O methylthiocarbamato κS](triphenylphosphane κP)gold(I): crystal structure and Hirshfeld surface analysis
... new polymorph were isolated from its methanol ...the crystal and mol- ecular structures of form of (I) are described along with a comparison with the parameters characterizing form ...a ... See full document
12
(E) 1 (Anthracen 9 yl) 3 (2 chloro 6 fluorophenyl)prop 2 en 1 one: crystal structure and Hirshfeld surface analysis
... the crystal, molecules are arranged into centrosymmetric dimers via pairs of C—H F hydrogen ...The crystal structure also features C— H and – interactions. Hirshfeld surface ... See full document
9
Crystal structure and Hirshfeld surface analysis of new polymorph of racemic 2 phenylbutyramide
... second polymorph, II, was reported (Vishweshwar et ...in structure to the original form I (Wheatley, 1964) and was widely discussed (Bond et ...ambient polymorph of aspirin, crystallized from ... See full document
8
Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4 [3,6 bis(pyridin 2 yl)pyridazin 4 yl]benzoate
... and crystal structures, along with the Hirshfeld surface analysis, the intermolecular interaction energies and the density func- tional theory (DFT) computational calculations carried out ... See full document
13
Crystal structure and Hirshfeld surface analysis of diiodido{N′ [(E) (phenyl)(pyridin 2 yl κN)methylidene]pyridine 2 carbohydrazide κ2N′,O}cadmium(II)
... an N- donor pyridine group and a tridentate coordination pocket, and have the potential to form mono-, di- and multinuclear structures (Afkhami et ...synthesis, crystal structure and Hirshfeld ... See full document
12
Crystal structure and Hirshfeld surface analysis of bis(benzoato κ2O,O′)[bis(pyridin 2 yl κN)amine]nickel(II)
... Hirshfeld surface of the title complex is shown in ...intermolecular N—H O and C—H O hydrogen bonding and C—H interactions in the crystal of the title complex are represented as ... See full document
11
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
13
Crystal structure and Hirshfeld surface analysis of N [(2 hydroxynaphthalen 1 yl)(3 methylphenyl)methyl]acetamide
... 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 N inter- ... See full document
12
6 Methyl 2 oxo N (quinolin 6 yl) 2H chromene 3 carboxamide: crystal structure and Hirshfeld surface analysis
... C–H N/O interactions ...O31 i hydrogen bond (Table 1), and the other spots correspond to very weak hydrogen-bond contacts, one involving pyrone atom O1 and a H atom of the methyl group ... See full document
10
Crystal structure and Hirshfeld surface analysis of (Z) 4 chloro N′ (4 oxothiazolidin 2 ylidene)benzenesulfonohydrazide monohydrate
... and N atoms. In the crystal, N—H N, N— H O, C—H O and O—H O hydrogen-bonding interactions connect the molecules, forming layers parallel to the ab ...the ... See full document
11
Crystal structures and the Hirshfeld surface analysis of (E) 4 nitro N′ (o chloro, o and p methylbenzylidene)benzenesulfonohydrazides
... the crystal of (I), molecules are linked via N—H O hydrogen bonds, forming C(4) chains along the a-axis direction that are interconnected by weak C—H O hydrogen bonds, generating layers ... See full document
19
Crystal structure and Hirshfeld surface analysis of N,N′ bis(3 tert butyl 2 hydroxy 5 methylbenzylidene)ethane 1,2 diamine
... 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
11
Crystal structure of a new monoclinic polymorph of N (4 methylphenyl) 3 nitropyridin 2 amine
... (Akhmad Aznan et al., 2010), and the present polymorph was isolated from a failed co-crystallization experiment as detailed in Section 5. The phenomenon of isolating polymorphs from co-crystallization experiments ... See full document
15
μ3 Chlorido μ2 chlorido (μ3 pyrrolidine 1 carbo dithio ato κ(4)S:S,S':S')tris [(tri ethyl phosphane κP)copper(I)]:crystal structure and Hirshfeld surface analysis
... the crystal, linear supramolecular chains along the c axis are formed via phosphane–methylene-C—H Cl and pyrrolidine– methylene-C—H (chelate) interactions, and these chains pack without directional ... See full document
14
A new monoclinic polymorph of N (3 methylphenyl)ethoxycarbothioamide: crystal structure and Hirshfeld surface analysis
... Fig. 3 and Table 2. As shown in Fig. 3, the N—H S hydrogen bonds are supported by 3- tolyl-C—H S interactions, Table 2, with that involving the S1 atom being slightly beyond the standard ... See full document
15
Crystal structure, Hirshfeld surface analysis and DFT studies of 2 [5 (4 methylbenzyl) 6 oxo 3 phenyl 1,6 dihydropyridazin 1 yl]acetic acid
... A suspension of ethyl 2-[5-(4-methylbenzyl)-6-oxo-3-phenyl- pyridazin-1(6H)-yl]acetate (3.6 mmol), and 6 N NaOH (14.4 mmol) in ethanol (50 ml) was stirred at 353 K for 4 h. The mixture was ... See full document
10
Crystal structure and Hirshfeld surface analysis of (benzenecarbothioamide κS)bromidobis(triphenylphosphane κP)silver(I)
... the Hirshfeld surfaces with short contacts indicated in ...for Hirshfeld surfaces of the complex are shown with character- istic pseudo-symmetry wings in the upper left and lower right sides of the de and ... See full document
12
A non solvated form of [(Z) O methyl N (2 methylphenyl)thiocarbamato κS](triphenylphosphane κP)gold(I): crystal structure and Hirshfeld surface analysis
... 70 crystal structures, including those of bidentate phosphanes and bipodal analogues, have been described in the crystallographic literature (Groom et ...namely crystal engineering and evaluation for ... See full document
13
New monoclinic form of {O Ethyl N (4 nitrophenyl)thiocarbamato κS}(tri 4 tolylphosphane κP)gold(I): crystal structure and Hirshfeld surface analysis
... a structure provided by Au Au interactions is comparable to that provided by conventional hydrogen bonding (Schmidbaur, ...bringing gold centres into close proximity (Tiekink, ... See full document
14
Crystal structure of a second monoclinic polymorph of 3 methoxybenzoic acid with Z′ = 1
... the crystal of the second polymorph, inversion dimers linked by O—H O hydrogen bonds occur and these are linked into zigzag chains, propagating along the b-axis direction by C— H O ... See full document
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