Results 51 to 60 of about 741,265 (208)

Site selectivity of halogen oxygen bonding in 5- and 6-haloderivatives of uracil [PDF]

, 2019
Seven 5-and 6-halogenated derivatives of uracil or 1-methyluracil (halogen = Cl, Br, I) were studied by single crystal X-ray diffraction. In contrast with pure 5-halouracils, where the presence of N-H…O and C-H…O hydrogen bonds prevents the formation ...
Portalone, Gustavo
core   +1 more source

1,2-Diazinium hydrogen chloranilate

Acta Crystallographica Section E, 2008
In the crystal structure of the title compound, C4H5N2+·C6HCl2O4−, there are three crystallographically independent 1,2-diazinium cations and hydrogen chloranilate anions.
Kazuma Gotoh, Hiroyuki Ishida
doaj   +1 more source

2-[4,5-Diphenyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]ethanol

IUCrData, 2017
The basic building blocks of the three-dimensional structure of the title compound, C22H19N3O, are helical chains running along the [101] direction and formed by O—H...N hydrogen bonds. C—H...O hydrogen bonds between chains generate sheets which are then
Joel T. Mague, Shaaban K. Mohamed, Mehmet Akkurt, Adel A. Marzouk, Mustafa R. Albayati   +4 more
doaj   +1 more source

9-Aminoacridin-10-ium 4-aminobenzoate dihydrate [PDF]

, 2014
The asymmetric unit of the title hydrated salt, C13H11N2 +.-C7H6NO2-.2H2O, consists of two independent 9-aminoacridinium cations, two 4-aminobenzoate anions and four water molecules.
Arshad, Suhana, Dhanabalan, Nallathambi, Razak, Ibrahim Abdul, Santhanaraj, K. Joseph, Thanigaimani, Kaliyaperumal   +4 more
core   +3 more sources

8-[(1E)-1-(2-Aminophenyliminio)ethyl]-2-oxo-2H-chromen-7-olate

Acta Crystallographica Section E, 2010
The title Schiff base, C17H14N2O3, exists as an NH tautomer with the H atom of the phenol group transferred to the imine N atom. The iminium H atom is involved in a strong intramolecular N+—H...O− hydrogen bond to the phenolate O atom,
E. S. Aazam, A. F. El Husseiny, H. M. Al-Amri, Orhan Büyükgüngör   +3 more
doaj   +1 more source

An ab initio and AIM investigation into the hydration of 2-thioxanthine [PDF]

, 2010
Background: Hydration is a universal phenomenon in nature. The interactions between biomolecules and water of hydration play a pivotal role in molecular biology. 2-Thioxanthine (2TX), a thio-modified nucleic acid base, is of significant interest as a DNA
Xiu-Xiang Yuan, Yan-Fang Wang, Xin Wang, Wenbo Chen, John S Fossey, Ning-Bew Wong, J Fitter, NJ Kim, W Pohil, B Bagchi, AP Sokolov, YG He, JH Hendricks, A Abo-Riziq, J Schiedt, W Chin, K Schoone, R Ramaekers, M Kabeláč, M Tho Nguyen, T Van Mourik, ES Kryachko, AK Chandra, AK Chandra, RB Zhang, T Frigato, AK Chandra, OV Shishkin, AK Chandra, S Kim, SA Trygubenko, M Hanus, M Hanus, J Rejnek, JD Zhang, RHD Lyngdoh, JD Gu, GA Spiller, K Miyamoto, K Yasui, Z Wang, DJ Darensbourg, A Dafali, OH Nielsen, CE Neunert, HG Mautner, LM Twanmoh, PU Civcir, BZ Li, G Stoychev, E Kulikowska, E Speina, H Tamta, K Papakostas, AE Reed, RWF Bader, C Møller, RG Parr, C Lee, AD Becke, SF Boys, R Ditchfield, K Wolinski, U Koch, PLA Popelier, F Biegler-König, F Biegler-König, MJ Frisch, GA Jeffrey, AK Rappé, JE Del Bene, ED Becker, P Hobza, XS Li, K Hermansson, B Blicharska, V Vailikhit, JE Del Bene, X Wang   +78 more
core   +3 more sources

(Z)-2-(4-Nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]acrylonitrile

IUCrData, 2018
The title compound, C21H15N3O3, features an essentially planar molecule (r.m.s. deviation for all non-H atoms = 0.090 Å). An intramolecular C—H...N hydrogen bond occurs.
Qingpeng Rao, Zepeng Wang, Mingdi Yang, Zhichao Wu   +3 more
doaj   +1 more source

4,4´-[4,4´-(Perfluoropropane-2,2-diyl)-bis(4,1-phenyleneoxy)]dianiline [PDF]

, 2009
In the title compound, C27H20F6N2O2, the dihedral angles between the planes of the aromatic rings connected by the ether O atoms are 84.13 (8) and 75.06 (9)°. The crystal structure is stabilized by N-H...O and N-H...F hydrogen bonds.
Nawaz, Haq, Akhter, Zareen, Bolte, Michael, Siddiqi, Humaira Masood   +3 more
core   +2 more sources

1,2-Bis(phenylphosphoryl)ethane [PDF]

, 2008
The geometric parameters of the molecule of the title compound, C14H16O2P2, are in the usual ranges. It is a meso compound with the two chiral P atoms having opposite configurations.
Dornhaus, Franz, Lerner, Hans-Wolfram, Bolte, Michael   +2 more
core   +1 more source

tert-Butyl N-{3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]propyl}carbamate

Acta Crystallographica Section E, 2012
In the title compound, C18H21ClN2O4, the molecular sytructure is stabilized by two intramolecular N—H...O hydrogen bonds. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers with graph-set
Jackson A. L. C. Resende, Javier A. Gomez   +1 more
doaj   +1 more source