Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures [0.03%]
高静水压下对乙酰氨基酚单斜晶型各向异性晶体结构变形
E V Boldyreva,T P Shakhtshneider,M A Vasilchenko et al.
E V Boldyreva et al.
The anisotropy of structural distortion of the monoclinic polymorph of acetaminophen induced by hydrostatic pressure up to 4.0 GPa was studied by single-crystal X-ray diffraction in a Merrill-Bassett diamond anvil cell (DAC). The space grou...
Experimental charge density and electrostatic potential of glycyl-L-threonine dihydrate [0.03%]
甘氨-L-苏糖二水合物的实验电荷密度和静电势
F Benabicha,V Pichon-Pesme,C Jelsch et al.
F Benabicha et al.
The experimental electron density distribution in glycyl-L-threonine dihydrate has been investigated using single-crystal X-ray diffraction data at 110 K to a resolution of (sin theta/lambda) = 1.2 A(-1). Multipolar pseudo-atom refinement w...
Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) [0.03%]
吲哚乙酸的烷基衍生物（植物激素）的结构和物理化学参数与生物活性之间的相关性研究
B Nigović,S Antolić,B Kojić-Prodić et al.
B Nigović et al.
As part of molecular recognition studies on the phytohormone indole-3-acetic acid (IAA) a series of alkylated IAAs has been examined. Phenyl-ring substitution (alkyl = methyl and ethyl) at positions 4-, 6- or 7- as well as pyrrole substitut...
Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with D-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with CRUNCH [0.03%]
手性和客体的识别：一个D-苯基甘氨甲酯高氯酸盐客体和二萘嵌盘六素主体的结构并用CRUNCH解析了一个难题
D J Cram,R A de Graaff,C B Knobler et al.
D J Cram et al.
The complex between (R)-4,5,7,8,10,11,13,14,16,17-decahydro-2,19- diphenyldinaphtho[2,1-q:1',2'-s][1,4,7,- 10,13,16]hexaoxa[2,5,8,11,14,17,19]cycloicosaheptene {Chemical Abstracts name: (R)-4,5,7,8,10,11,13,14,16,17-decahydro-2,19- diphenyl...
Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate [0.03%]
无水氨基甲酸铵(2+)和二水合双[(1+)氨基脒]六氟硅酸盐：制备铁电氮基甲酸铵(2+)六氟合锆酸盐的新副产物
C R Ross nd,M R Bauer,R M Nielson et al.
C R Ross nd et al.
Ammonioguanidinium hexafluorosilicate, CH8N4(2+).SiF6(2-), and bis(aminoguanidinium) hexafluorosilicate dihydrate, 2CH7N4+.SiF6(2-).2H2O, are new materials formed as by-products in course of preparing ferroelectric CH8N4ZrF6 in the presence...
H W Yang,B M Craven
H W Yang
The crystal structure of 2-pyridone has been redetermined from high-resolution X-ray data collected at 123 K. The molecule is in the lactam form. Bond lengths (corrected for rigid-body libration) and angles have been determined with s.u.'s ...
E J Valente,S B Martin,L D Sullivan
E J Valente
Structures of derivatives of cyclic o-acylbenzoic acids, including the chloride, endo- and exocyclic amides, esters and anhydrides, are examined. 3-Chloro-1(3H)-isobenzofuranone (1), orthorhombic, Pbca, a = 11.616 (5), b = 8.120 (3), c = 15...
E J Valente,J F Fuller,J D Ball
E J Valente
Certain 4- and 5-oxoacids may exist in their cyclic lactol (or pseudoacid) forms. These commonly occur in compounds with proximate carboxylic acid and carbonyl (aldehyde or ketone) functions for the formation of five- or six-membered rings....
Structure and serotonin 5-HT2C receptor activity of ortho- and meta-substituted phenylpiperazines [0.03%]
ortho-和meta-取代苯哌嗪的结构及其对血清素5-HT2C受体的作用活性
M L Verdonk,J W Voogd,J A Kanters et al.
M L Verdonk et al.
The structural characteristics of ortho- and meta-substituted phenylpiperazines have been investigated in order to understand their actions at the serotonin 5-HT2C receptor. The crystal structures of the 4-methylated analogues of two phenyl...
Structure and thermal vibrations of spermine phosphate hexahydrate from neutron diffraction data at 125 K [0.03%]
基于低温中子衍射数据的亚精胺磷酸六水合物晶体结构及其热振动参数
A E Cohen,B M Craven,W T Klooster
A E Cohen
Spermine phosphate hexahydrate crystallizes in space group P2(1)/a with unit-cell dimensions a = 7.931 (1), b = 23.158 (5), c = 6.856 (2) A, and beta = 113.44 (2) degrees at 125 K with unit-cell contents [(C10H30N4)2(4+)(HPO4)4(2-).12H2O]. ...