A Van Langevelde,K Van Malssen,R Driessen et al.
A Van Langevelde et al.
The crystal structures of the beta' phase of CLC (1, 3-didecanoyl-2-dodecanoylglycerol) and MPM (1, 3-ditetradecanoyl-2-hexadecanoylglycerol) have been determined from single-crystal X-ray diffraction and high-resolution X-ray powder diffra...
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example [0.03%]
选择性溶剂包含作为在晶体结构中绘制分子属性的工具：二乙基 stilbestrol为例
C H Görbitz,H P Hersleth
C H Görbitz
Useful information about hydrogen bonding, the preferred modes of hydrophobic interaction and conformational preferences of a specific molecule can be obtained from cocrystallization of the solute with a selected series of solvent molecules...
Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study [0.03%]
1H-吡唑类化合物固态超分子结构的晶体学和从头算研究
C Foces-Foces,I Alkorta,J Elguero
C Foces-Foces
The secondary structure of 1H-unsubstituted pyrazole derivatives bearing only one hydrogen donor group and one or more acceptor groups has been analyzed in terms of some descriptors representing the substituents at C3 and C5. The substituen...
Balić-Zunić,M R Christoffersen,J Christoffersen
Balić-Zunić
beta-Ca(2)P(2)O(7).4H(2)O is monoclinic, P2(1)/c, a = 12.287 (6), b = 7.511 (3), c = 10.775 (5) A, and beta = 112.54 (1) degrees. Five of the terminal O atoms from a pyrophosphate group bind to Ca atoms, together with O atoms from three of ...
K S Chandrasekaran,S K Mohanlal,R Saravanan et al.
K S Chandrasekaran et al.
Anomalous X-ray scattering effects are quite extensive in the noncentrosymmetric ferroelectric structure of barium titanate, and typical estimates for three published X-ray diffraction experiments are computed. These data show that the Bijv...
Orthorhombic tau-Zn-Mg-Dy phase related to a Frank-Kasper type decagonal quasicrystal [0.03%]
与弗兰克-卡斯PER染型十次准晶相关的正交tau-Zn-Mg-Dy相
E Abe,A P Tsai
E Abe
We report a novel Zn-Mg-Dy phase, denoted as the tau-phase, whose structure is related to that of the Frank-Kasper type decagonal Zn-Mg-Dy phase, based on electron diffraction and high-resolution transmission electron microscopy studies. A ...
Ferroelastic structures of n-pentyl-, n- hexyl- and n-nonylammonium dihydrogenphosphate crystals [0.03%]
正戊基、正己基和壬铵磷酸氢二铵晶体的铁弹结构
J Fábry,V Petrícek,J Kroupa et al.
J Fábry et al.
This study reports the structure redeterminations of C(5)H(11)NH(3)(+).H(2)PO(4)(-) (n-pentylammonium dihydrogenphosphate, C5ADP), C(6)H(13)NH(3)(+).H(2)PO(4)(-) (n-hexylammonium dihydrogenphosphate, C6ADP) and C(9)H(19)NH(3)(+).H(2)PO(4)(-...
Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates [0.03%]
2-硝基苯基硫醇盐的构象偏好和超分子聚集：二硫化物和硫亚磺酸盐
C Glidewell,J N Low,J L Wardell
C Glidewell
In each of the asymmetrically substituted disulfides 2-nitro-4'-methyldiphenyl disulfide, C(13)H(11)NO(2)S(2) (1), 2-nitro-4'-chlorodiphenyl disulfide, C(12)H(8)ClNO(2)S(2) (2), 2, 4-dinitro-4'-methyldiphenyl disulfide, C(13)H(10)N(2)O(4)S(...
N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular-electronic and supramolecular structures [0.03%]
甘氨酸、缬氨酸、丝氨酸、苏氨酸和蛋氨酸的N-(6-氨基-3,4-二氢-3-甲基-5-亚硝基-4-氧代嘧啶-2-基)衍生物：分子、分子电子和超分子结构之间的相互作用
J N Low,M D López,P Arranz Mascarós et al.
J N Low et al.
In each of N-(6-amino-3, 4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)valine, C(10)H(15)N(5)O(4) (3) (orthorhombic, P2(1)2(1)2(1)), N-(6-amino-3, 4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)serine monohydrate, C(8)H(11)N(5)O(5).H(2...
Conformational transformation coupled with the order-disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals [0.03%]
2-甲基-1,3-环己二酮晶体中的构象转换伴随的有序无序相变
A Katrusiak
A Katrusiak
The half-chair conformation of the dynamically disordered molecular ring of 2-methyl-1,3-cyclohexanedione, C(7)H(10)O(2), transforms to a sofa below Tc = 244 K, when the crystal undergoes a continuous phase transition induced by the onset o...