[PDF] Top 20 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
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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
... form co-crystals, reliable and robust synthons are ...that formed by a carboxylic acid and a pyridyl residue via an O—H N hydrogen bond (Shattock et ...OCOH} 2 homosynthon by ... 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 diamide features an essentially flat central residue with the r.m.s. deviation for the eight non-hydrogen atoms (O1, N2, C6 and C7, and symmetry equivalents) being 0.025 A ˚ . This planar arrangement allows for the ... 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
... a co-crystallization experi- ment involving 2-MBA is ...the co-crystal- lization of 2-MBA with 2-chlorobenzoic acid (2CBA), and recrystallization from a ... See full document
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A 1:2 co crystal of 2,2′ thiodibenzoic acid and triphenylphosphane oxide: crystal structure, Hirshfeld surface analysis and computational study
... The co-crystal was subjected to intermolecular interaction energy calculations using CE-B3LYP/6-31G(d,p) available in Crystal Explorer (version 17; Turner et ...the crystal geometry being used ... 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
13
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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A 1:2 co crystal of 2,2′ dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study
... the Hirshfeld surface which are dominated by the strong hydroxy-O—H O(carbonyl) hydrogen ...the crystal with the calculated (total) energy of 71.7 kJ mol 1 , Table ...Table 1, are ... 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 methylbenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study
... present study was motivated by these applications and by previous structural studies (Gunasekaran et ...compound, 4-MePhC( O)N(H)C( S)N(CH 2 ... See full document
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Crystal structure and Hirshfeld surface analysis of 4 {[(anthracen 9 yl)methyl]amino}benzoic acid
... The molecular structure of the title compound is illustrated in Fig. 1. The molecule is non-planar, with the benzene ring (C2– C7) being inclined to the mean plane of the anthracene ring system (C9–C22; ... See full document
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(N,N Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
... Table 1. The S2—Sn—C31 bond angle is 158.41 (4) and is suggestive of a trans-influence exerted by the S2 atom; there is no other trans angle about the tin ... 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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Crystal structures and Hirshfeld surface analyses of 2 [(4,6 diaminopyrimidin 2 yl)sulfanyl] N (pyridin 2 yl)acetamide and 2 [(4,6 diaminopyrimidin 2 yl)sulfanyl] N (pyrazin 2 yl)acetamide
... 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
14
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
... (Fig. 1) contains one molecule each of the hydrazone and the solvent di- methylformamide ...C N bond. The conformations of the N—H, C—H and C O bonds in the hydazone portion of the molecule are syn ... 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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Crystal structures of hydrogen bonded co crystals as liquid crystal precursors: 4 (n pentyloxy)benzoic acid–(E) 1,2 bis(pyridin 4 yl)ethene (2/1) and 4 (n hexyloxy)benzoic acid–(E) 1,2 bis(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 (E) 4 {[2 (4 hydroxybenzoyl)hydrazin 1 ylidene]methyl}pyridin 1 ium nitrate
... empty N,O-donor chelating pockets of aroyl hydrazones that are incorporated into frameworks can potentially make them amenable to post-synthetic metalation (Evans et ...The structure determination of the ... 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
6
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 ...2008), 1-(2-methoxyphenyl)-1H- ... See full document
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