[PDF] Top 20 A 1:2 co crystal of 2,2′ dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study
Has 10000 "A 1:2 co crystal of 2,2′ dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study" found on our website. Below are the top 20 most common "A 1:2 co crystal of 2,2′ dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study".
A 1:2 co crystal of 2,2′ dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study
... to study the overall topology of the energy distri- butions in the crystal of (I), the energy framework was generated for a cluster of 4 4 4 unit cells using the same quantum level of theory as mentioned ... See full document
11
A 2:1 co crystal of p nitrobenzoic acid and N,N′ bis(pyridin 3 ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis
... crystal, three-molecule aggregates are linked into a linear supramolecular ladder sustained by amide-N—H O(nitro) hydrogen bonds and orientated along [104]. The ladders are connected into a double layer via ... See full document
12
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
... Both (I) and (II) also exhibit similarity in terms of their close contacts as evidenced from the percentage contribution of the corresponding contacts obtained through Hirshfeld surface analysis for ... See full document
13
A 2:1 co crystal of 2 methylbenzoic acid and N,N′ bis(pyridin 4 ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis
... the Hirshfeld surfaces are from H H contacts, Table 5, and their respective ER values are close to ...title 2:1 co- crystal, in contrast to that observed in a related, recently ... 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
16
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 ...carboxylic acid and a pyridyl residue via an O—H N hydrogen bond (Shattock et ...OCOH} 2 homosynthon by ... See full document
16
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
22
Crystal structure and Hirshfeld surface analysis of 4 {[(anthracen 9 yl)methyl]amino}benzoic acid
... The two-dimensional fingerprint plots are given in Fig. 5. They reveal that the principal contributions to the overall surface involve H H contacts at 42.7% (Fig. 5b), followed by C H/H C contacts at 40.0% (Fig. ... See full document
9
Crystal structure and Hirshfeld analysis of 2 [bis(1 methyl 1H indol 3 yl)methyl]benzoic acid
... A search of the Cambridge Structural Database (Groom et al., 2016) revealed only seven structures of bis(indole-3-yl) derivatives. These include 3,5-bis(indol-3-yl)-1,2,4-triazin- 6(1H,6H)-one methanol solvate (FOLSOP) ... See full document
10
N [2 (Trifluoromethyl)phenyl]maleamic acid: crystal structure and Hirshfeld surface analysis
... (Fig. 2, Table 1), resulting in sheets lying in the (100) plane ...(Fig. 2, Table 1). In addi- tion, C9—H9 O3 interactions (Table 1) forming C(4) chains runs down the b-axis direction, ... See full document
8
Crystal structure, Hirshfeld surface analysis and computational studies of 5 [(prop 2 en 1 yl)sulfanyl] 1 [2 (trifluoromethyl)phenyl] 1H tetrazole
... sulfamato){ 2 -1-(3,5-dimethylphenyl)-5-[(prop-2-en-1-yl)sulf- anyl]-1H-tetrazole}copper(I)} (ZEYRUT; Slyvka et ...S-substituted 1-phenyl-1H-tetrazole-5-thiol structures in the ... See full document
9
Crystal structure of 4 [(3 methoxy 2 oxidobenzylidene)azaniumyl]benzoic acid methanol monosolvate
... structural study of Schiff bases and their utilization in the synthesis of new organic, excited state proton-transfer compounds and fluorescent chemosensors (Faizi et ...the crystal structure of the ... See full document
8
Crystal structure of 4 (2 hydroxy 3 methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate
... comparison with the title compound, there are two examples of very similar compounds reported in the literature: ethyl 4- {[(2-hydroxyphenyl)methyl]amino}benzoate, (I) (WEFQEG; Salman et al., 2017), and ethyl ... See full document
9
2 (Dibromomethyl)benzoic acid
... 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
2 (2,4 Dihydroxybenzoyl)benzoic acid
... solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: ... See full document
6
2 (Benzotriazol 1 ylmethylamino)benzoic acid
... the molecule there is an intramolecular N—H O hydrogen bond involving the amine H atom and the carbonyl O atom. In the crystal structure, symmtry-related molecules are connected by intermolecular O—H N and ... See full document
7
Hydrogen bonded co crystal structure of benzoic acid and zwitterionic L proline
... is co-crystallization with an enantiopure chiral compound (Kwon et ...amino acid proline plays an important role in determining the structure of proteins, due to its structural ...non-centrosymmetric ... See full document
7
2 Hydroxy 6 isopropyl 3 methylbenzoic acid
... carboxylic acid group is nearly in plane with the ...carboxylic acid group on the one hand and the carbon atoms of the aromatic moiety on the other hand intersect at an angle of only ... See full document
8
Crystal structure of 2 {[1 (2 methyl 5 nitro 1H imidazol 1 yl)propan 2 yloxy]carbonyl}benzoic acid
... Nitroimidazoles are well recognized as antibacterial agents since the early 1950s as azomycin, i.e. 2-nitroimidazole, was discovered (Maeda et al., 1953). The imidazole moiety has a wide range of biological ... See full document
9
2 (Acetoxymethyl)benzoic acid
... 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
7
Related subjects