[PDF] Top 20 Crystal structure and Hirshfeld surface analysis of N,N′ bis(2 nitrophenyl)glutaramide
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Crystal structure and Hirshfeld surface analysis of N,N′ bis(2 nitrophenyl)glutaramide
... the N—H, C O and C—H bonds are anti to each other. In 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 ... See full document
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Crystal structure and Hirshfeld surface analysis of N (5 iodo 4 phenylthiazol 2 yl)acetamide
... The 1,3-thiazole ring is a structural motif frequently found in the pharmaceutical field in antibacterial (Alam et al., 2014), antifungal (Yu et al., 2007) and antiviral (Liu et al., 2011) agents among others. In the ... See full document
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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
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Crystal structure, DFT and Hirshfeld surface analysis of (E) N′ [(1 chloro 3,4 dihydronaphthalen 2 yl)methylidene]benzohydrazide monohydrate
... and crystal structures of the title compound, which can act as a potential multidrug ligand for various biological ...with Hirshfeld surface analysis and PIXEL methods (Sowmya et ... See full document
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Di n butylbis[N (2 methoxyethyl) N methyldithiocarbamato κ2S,S′]tin(IV): crystal structure and Hirshfeld surface analysis
... Table 2. The chains pack in the crystal with no specific interactions between them, ...its Hirshfeld surface was analysed, as discussed in Hirshfeld surface ... See full document
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(N,N Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
... An analysis of the calculated Hirshfeld surface points to the significance of H H contacts, which contribute ...the surface, with C H/H C ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) N [(2 ethoxynaphthalen 1 yl)methylidene] 5,6,7,8 tetrahydronaphthalen 1 amine
... A view of the three-dimensional Hirshfeld surface of the title compound plotted over electrostatic potential energy in the range 0.048 to 0.033 a.u. using the STO-3G basis set at the Hartree–Fock level of ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) N′ [4 (piperidin 1 yl)benzylidene]arylsulfonohydrazides
... respectively, indicating that the hydrazone portion of the molecules (C N—N—S—C group) is not coplanar with the sulfonyl phenyl ring. The C7 N2 bond lengths of 1.271 (3) A ˚ in (I) and 1.269 (3) A ˚ in (II) ... See full document
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N,N′ Bis(pyridin 4 ylmethyl)oxalamide benzene monosolvate: crystal structure, Hirshfeld surface analysis and computational study
... layers parallel to (102) are generated owing the formation of amide-N— H N(pyridyl) hydrogen bonds. The layers stack encompassing benzene molecules which provide the links between layers via methylene-C— H ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 4 chloro N {2 [2 (4 nitrobenzylidene)hydrazin 1 yl] 2 oxoethyl}benzenesulfonamide N,N dimethylformamide monosolvate
... 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
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Bis(μ2 N methyl N phenyldithiocarbamato) κ3S,S′:S;κ3S:S,S′ bis[(N methyl N phenyldithiocarbamato κ2S,S′)cadmium]: crystal structure and Hirshfeld surface analysis
... 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
10
6 Methyl 2 oxo N (quinolin 6 yl) 2H chromene 3 carboxamide: crystal structure and Hirshfeld surface analysis
... labelled atoms participating in the C–H N/O interactions (Fig. 3). The strongest spots correspond to oxo atom O31 of the carboxamide acceptor and donor atom H314, which forms the C314—H314 O31 i hydrogen bond ... See full document
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Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N [(pyridin 2 yl)methylidene]aniline}copper(II) monohydrate
... ground crystal using a Shimadzu Prestigie-21 spectrophotometer with Fourier Transform (FTIR), equipped with a Michelson-type interferometer, a KBr/Ge beam-splitter, a ceramic lamp and DLATGS ... See full document
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N (6 Methoxypyridin 2 yl) 1 (pyridin 2 ylmethyl) 1H pyrazole 3 carboxamide: crystal structure and Hirshfeld surface analysis
... product (0.0246 mol) and 2-(chloromethyl)pyridine (0.0295 mol) were dissolved in acetone (10 ml), potassium carbonate (0.0369) was added and the reaction mixture was heated at 329 K for 5 h. After completion of ... See full document
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A 2:1 co crystal of 2 methylbenzoic acid and N,N′ bis(pyridin 4 ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis
... title 2:1 co-crystal and isomeric forms have attracted considerable interest in the crystal engineering community no doubt owing to the variable functional groups and conformational flex- ...I ... See full document
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Hirshfeld surface analysis and crystal structure of N (2 methoxyphenyl)acetamide
... for N-(2- methoxyphenyl)acetamide derivatives found several similar structures: 3-hydroxy-7,8-dimethoxyquinolin-2(1H)-one (BIZGAT; Song et ...the structure of BIZGAT, the molecules are linked ... See full document
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N′ [(1E) (5 Nitrofuran 2 yl)methylidene]thiophene 2 carbohydrazide: crystal structure and Hirshfeld surface analysis
... the Hirshfeld surface mapped with the shape-index property identified with arrows in the images of ...the Hirshfeld surface mapped over curvedness in ...the structure of (I) make a 8.9% ... See full document
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Crystal structure and Hirshfeld surface analysis of 2 [(1,3 benzoxazol 2 yl)sulfanyl] N (2 methoxyphenyl)acetamide
... The bright-red spots indicate their roles as the respective donors and/or acceptors; they also appear as blue and red regions corresponding to positive and negative potentials on the Hirshfeld surface ... See full document
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N′ (1,3 Benzothiazol 2 yl)benzenesulfonohydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry
... on 2-arylidenehydrazinylbenzothiazoles, which include anti-tumour activities (Lindgren et ...2019); crystal structure determinations have also been included in each of these ...other ... See full document
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Bis[N (2 hydroxyethyl) N isopropyldithiocarbamato κ2S,S′](piperazine κN)cadmium: crystal structure and Hirshfeld surface analysis
... The overall two-dimensional fingerprint plot, Fig. 7a, and those delineated into H H, S H/H S, O H/H O, C H/H C, N H/H N and S S interactions are illus- trated in Fig. 7b–g, respectively. The greatest ... See full document
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