[PDF] Top 20 Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co crystal formed between N,N′ bis(pyridin 4 ylmethyl)ethanediamide and 4 chlorobenzoic acid
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Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co crystal formed between N,N′ bis(pyridin 4 ylmethyl)ethanediamide and 4 chlorobenzoic acid
... the Hirshfeld surfaces and two-dimensional fingerprint plots were accomplished with the program Crystal Explorer 17 (Turner et ...Fig. 2, whereby two chlorobenzoic acid (CBA) molecules are ... See full document
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The 1:2 co crystal formed between N,N′ bis(pyridin 4 ylmethyl)ethanediamide and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study
... one structure forms hydroxyl- O—H N(pyridyl) hydrogen bonds, involving both pyridyl rings, in their ...hydroxy-O—H N(pyridyl) hydrogen bonds is the close approach of the pyridyl-C—H and carbonyl-O ... See full document
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N,N′ Bis(pyridin 4 ylmethyl)oxalamide benzene monosolvate: crystal structure, Hirshfeld surface analysis and computational study
... the crystal of (I) are given in Table ...of amide-N—H N(pyridyl) hydrogen ...Fig. 2(a), with dimensions defined by O10 O10 and N8 N8 separations of ...the crystal are of the type ... See full document
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3,3 Bis(2 hydroxyethyl) 1 (4 nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study
... sekaran, Jerome et al., 2012; Nishikawa, 2018). Over and above these considerations, there are continuing investigations into their biological potential, such as anti-microbial (Gemili et al., 2017; Binzet et al., 2018; ... See full document
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A 1:1:1 co crystal solvate comprising 2,2′ dithiodibenzoic acid, 2 chlorobenzoic acid and N,N dimethylformamide: crystal structure, Hirshfeld surface analysis and computational study
... mol 1 which is considered weak in ...Table 2, which validates the previous finding on ESP ...recent study demonstrated that the presence of external agents such as Lewis acids may either increase or ... See full document
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3,3 Bis(2 hydroxyethyl) 1 (4 methylbenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study
... mol 1 more stable than the O—H S interaction despite phenyl-C—H being a weak hydrogen-bond donor and thione-S a weak acceptor, and that such inter- actions are known to be dispersive in nature (Bhattacharyya et ... See full document
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N,N′ Bis(pyridin 3 ylmethyl)ethanediamide monohydrate: crystal structure, Hirshfeld surface analysis and computational study
... (20.7 kJ mol 1 ), C5—H5 N4 (13.0 kJ mol 1 ) and C1— H1 O1W (10.5 kJ mol 1 ) interactions. As expected, the N2—H2N O1, N3—H3N O2, O1W—H1W N1 and O1W—H2W O1W interactions are associated with distinct ... See full document
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A 1:2 co crystal of 2,2′ dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study
... benzoic acid showed the formation of a homo-synthon between two DTBA molecules with each of the terminal carboxylic acid residues of the two-molecule aggregate engaged in non-symmetric ... 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 ... See full document
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A 2:1 co crystal of p nitrobenzoic acid and N,N′ bis(pyridin 3 ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis
... the study of co- crystals relates to their potential applications in the pharma- ceutical industry whereby co-crystals of active pharmaceutical ingredients (APIs) formed with generally ... 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
... The study of C—H O interactions in compounds containing chlorine atoms suggests that the more acidic the C—H hydrogen involved in a C—H O interaction, the stronger is the interaction (Desiraju et ...make ... See full document
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Crystal structure of 4 [4 (ethoxycarbonyl)piperazin 1 yl]benzoic acid
... ethyl 4-[4-nitro-2-(trifluoromethyl)phen- yl]piperazine-1-carboxylate (OMOJAB; Lynch & McClena- ghan, 2004) and ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]- ... See full document
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Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6 bis(pyridin 2 yl) 4 {[(3aS,5S,5aR,8aR,8bS) 2,2,7,7 tetramethyltetrahydro 5H bis[1,3]dioxolo[4,5 b:4′,5′ d]pyran 5 yl)methoxy]methyl}pyridazine monohydrate
... Given their importance in the pharmaceutical, chemical and industrial fields, the synthesis of 3,6-di(pyridin-2-yl)pyridazine and its derivatives has been a goal of chemists in recent years. ... See full document
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N′ (1,3 Benzothiazol 2 yl)benzenesulfonohydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry
... Fig. 4(b), and the faint-red spots near the benzene-H11, benzothiazolyl-H19 and sulfonyl-O2,O4 atoms in ...Table 2, describing – stacking interactions between symmetry-related S1-thiazole and benzene ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 4 {[2 (4 hydroxybenzoyl)hydrazin 1 ylidene]methyl}pyridin 1 ium nitrate
... The full two-dimensional fingerprint plots for the title aroyl hydrazone Schiff base salt, showing (a) all interactions, and delineated into (b) H O/O H, (c) H H, (d) H C/C H, (e) H N/N H, (f) C C, (g) C ... See full document
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Crystal structure of 4 chloro N [2 (piperidin 1 yl)ethyl]benzamide monohydrate
... 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 ... See full document
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Crystal structures of four co crystals of (E) 1,2 di(pyridin 4 yl)ethene with 4 alkoxybenzoic acids: 4 methoxybenzoic acid–(E) 1,2 di(pyridin 4 yl)ethene (2/1), 4 ethoxybenzoic acid–(E) 1,2 di(pyridin 4 yl)ethene (2/1), 4 n propoxybenzoic acid–(E) 1,2 di(pyridin 4 yl)ethene (2/1) and 4 n butoxybenzoic acid–(E) 1,2 di(pyridin 4 yl)ethene (2/1)
... 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 ... See full document
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Crystal structure and Hirshfeld surface analysis of 3 (cyclopropylmethoxy) 4 (difluoromethoxy) N (pyridin 2 ylmethyl)benzamide
... the surface indicate the inter- molecular contacts involved in hydrogen bonding (Table ...7e), N H/H N at ...the crystal packing, and make the most significant contributions to the total ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 2 [1 hydroxy 2 (pyridin 2 yl)ethyl] 4 [2 (4 methoxyphenyl)diazen 1 yl]phenol
... The Hirshfeld surface analysis (Spackman & Jayatilaka, 2009) and the associated two-dimensional fingerprint plots (McKinnon et ...with Crystal- Explorer17 (Turner et ...of Hirshfeld ... See full document
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Crystal structure of 4 nitro N [(pyridin 2 yl)methylidene]aniline
... 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 ... See full document
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