Author
Min Zhang
Bio: Min Zhang is an academic researcher from Hunan University of Science and Engineering. The author has contributed to research in topics: Crystal structure & Iodide. The author has an hindex of 5, co-authored 38 publications receiving 65 citations.
Topics: Crystal structure, Iodide, Carboxylic acid, Methanol, Ring (chemistry)
Papers
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TL;DR: In this article, the dioxane ring adopts a chair conformation with the two substituent groups occupying equatorial positions in the title compound C25H26O2.
Abstract: In the title compound, C25H26O2, the dioxane ring adopts a chair conformation with the two substituent groups occupying equatorial positions.
1 citations
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TL;DR: In this paper, the triclinic P1̅ (no. 2), a = 7.905(3), b = 9.194(4) Å, c = 13.094(5)Å, α = 99.928°, β = 105.341°, γ = 109.283°, V = 830.2
Abstract: Abstract C16H19ClO6, triclinic, P1̅ (no. 2), a = 7.905(3) Å, b = 9.194(4) Å, c = 13.094(5) Å, α = 99.928(4)°, β = 105.341(4)°, γ = 109.283(4)°, V = 830.2(6) Å3, Z = 2, Rgt(F) = 0.0343, wRref(F2) = 0.0898, T = 296(2)K.
1 citations
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TL;DR: Two inter-chain AgI atoms are bridged by two independent ABS ligands through weak Ag—O bonds and Ag⋯Ag attractions, forming a ladder-like chain coordination polymer [Ag2(ABS)2(bipy)2]n parallel to [001], which is further linked to generate a two-dimensional structure via N—H—O hydrogen-bonding interactions.
Abstract: In the title compound, [Ag2(C6H6NO3S)2(C10H8N2)2]n, the AgI atom is four-coordinated by two N atoms from two symmetry-related 4,4′-bipyridine (bipy) and two O atoms from two independent 4-aminobenzenesulfonate (ABS) ligands The two inter-chain AgI atoms are bridged by two independent ABS ligands through weak Ag—O bonds and Ag⋯Ag attractions, forming a ladder-like chain coordination polymer [Ag2(ABS)2(bipy)2]n parallel to [001], which is further linked to generate a two-dimensional structure via N—H⋯O hydrogen-bonding interactions
1 citations
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TL;DR: In this article, the orthorhombic Pca21 ortho-n2O4 ortho homomorphism was used to construct ortho ortho n2o4 orthogonality.
Abstract: Abstract C15H24N2O4, orthorhombic, Pca21, a = 18.528(6) Å, b = 8.123(2) Å, c = 20.797(6) Å, V = 3129.9(16) Å3, Z = 8, Rgt(F) = 0.0396, wRref(F2) = 0.1082, T = 296(2) K.
1 citations
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TL;DR: In this article, a tetragonal I41/a (no. 88) is presented, where a = 21.24(2) Å, c = 11.1 Å3, Z = 16, Rgt(F) = 0.0595, wRref(F2) =0.1873, T = 296 K.
Abstract: Abstract C12H20O4, tetragonal, I41/a (no. 88), a = 21.24(2) Å, c = 11.24(2) Å, V = 5073.1 Å3, Z = 16, Rgt(F) = 0.0595, wRref(F2) = 0.1873, T = 296 K.
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TL;DR: The accuracy of a dispersion-corrected density functional theory method is validated against 241 experimental organic crystal structures from Acta Cryst.
Abstract: This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 A (0.084 A for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.
159 citations
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01 Jan 2013
TL;DR: The history of the Church at Leiper's Fork, now known as Hillsboro, TN, has been discussed in this article, where it is suggested that it would be encouraging to the congregation if its history would be kept fresh in the minds of its members.
Abstract: There are very few people who have lived the allotted time but have an interesting biography, and there are very few congregations but have a very profitable history. The church at Leiper’s Fork, now known as Hillsboro, TN, has a most interesting history. There are few, if any, who know the history of their congregation. It seems that it would be encouraging to the congregation if its history would be kept fresh in the minds of its members.
47 citations
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TL;DR: Stability of the molecule arising from hyper conjugative interaction and charge transfer delocalization has been analyzed using natural bond orbital (NBO) analysis and electrophilic and nucleophilic descriptors of the title molecule have been calculated.
13 citations
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TL;DR: The title complex, [CoCl(C5H13N)(C2H8N2)2]Cl2·H2O, comprises one chloridobis(ethylenediamine)(n-pentylamine)cobalt(III) cation, two chloride counter-anions and a water molecule.
Abstract: The title complex, [CoCl(C5H13N)(C2H8N2)2]Cl2·H2O, comprises one chloridobis(ethylenediamine)(n-pentylamine)cobalt(III) cation, two chloride counter-anions and a water molecule. The CoIII atom of the complex is hexacoordinated by five N and one Cl atoms. The five N atoms are from two chelating ethylenediamine and one n-pentylamine ligands. Neighbouring cations and anions are connected by N—H⋯Cl and N—H⋯O hydrogen bonds to each other and also to the water molecule.
13 citations