Graph-set and packing analysis of hydrogen-bonded networks in polyamide structures in the Cambridge Structural Database [0.03%]
剑桥晶体学数据库中聚酰胺结构的氢键网络的图集及填充分析
W D Motherwell,G P Shields,F H Allen
W D Motherwell
The hydrogen-bond networks and crystal packing of 81 unique secondary di- and polyamides in the Cambridge Structural Database are investigated. Graph-set analysis, as implemented in the RPluto program, is used to classify network motifs. Th...
Intramolecular hydrogen bonds: common motifs, probabilities of formation and implications for supramolecular organization [0.03%]
intramolecular氢键：常见模式、形成概率及超分子组织的含义
C Bilton,F H Allen,G P Shields et al.
C Bilton et al.
A systematic survey of the Cambridge Structural Database (CSD) has identified all intramolecular hydrogen-bonded ring motifs comprising less than 20 atoms with N and O donors and acceptors. The probabilities of formation P(m) of the 50 most...
U Rychlewska,B Warzajtis
U Rychlewska
The molecular packing modes of a series of mono- and diamides of (R, R)-tartaric acid are discussed on the basis of their crystal structures. Derivatives include combinations of methylester, amide, N-methylamide and N,N-dimethylamide groups...
D Britton
D Britton
It is possible to understand, or at least rationalize, the occurrence of pseusosymmetry elements in some crystals as a consequence of a higher symmetry in a two-dimensional layer being obscured by the three-dimensional packing of the layers...
Isomorphism and pseudosymmetry in 2,6-dichloro- and 2, 6-dibromobenzonitrile [0.03%]
2,6-二氯及2,6-二溴苯腈的同形异构与伪对称性
D Britton,W E Noland,M J Pinnow
D Britton
The title compounds are isomorphous, with two half-molecules in the asymmetric unit of a monoclinic unit cell in the space group C2/m. For the chloro compound: a = 18.0525 (8), b = 20.7374 (10), c = 3. 8334 (2) A, beta = 101.143 (1) degrees...
Two-dimensional incommensurately modulated structure of (Sr0.13Ca0. 87)2CoSi2O7 crystals [0.03%]
(Sr0.13Ca0.87)2CoSi2O7晶体的二维非调和超结构
B Bagautdinov,K Hagiya,K Kusaka et al.
B Bagautdinov et al.
The incommensurate structure of (Sr(0.13)Ca(0.87))(2)CoSi(2)O(7) at room temperature has been determined from single-crystal X-ray diffraction data. The compound has a non-centrosymmetric tetragonal basic cell of a = 7.8743 (4) and c = 5.04...
M Nespolo,M Isobe,J Iida et al.
M Nespolo et al.
The structure of synthetic YbFeMnO(4) has been refined by single-crystal X-ray diffraction. Space group R3m, a = 3.4580 (1), c = 25.647 (3) A, V = 265.59 (3) A(3), Z = 3. Yb is in octahedral coordination, whereas Fe and Mn are disordered on...
S C Abrahams
S C Abrahams
The current release of the Inorganic Crystal Structure Database contains a total of 57 entries under space group P3 that correspond to 50 different materials. There are 21 structures reported with this space group that satisfy the criteria ...
V A Streltsov,J Nordborg,J Albertsson
V A Streltsov
Structure factors for rubidium oxotitanium arsenate, RbTiOAsO(4), were measured at 293 K with focused synchrotron X-radiation [lambda = 0.7500 (9) A] using a fast avalanche photodiode counter. The accurate synchrotron single-crystal data ar...
F E Rohrer,A K Larsson
F E Rohrer
N-Nb(2)O(5) [C2/m (No. 12), a = 28.51, b = 3.830 and c = 17.48 A, and beta = 124.8 degrees ] has been investigated by means of selected-area electron diffraction (SAED) and high-resolution transmission electron microscopy (HRTEM). N-Nb(2)O(...