Results 41 to 50 of about 590,684 (259)

2-Amino-4-methylpyrimidinium dihydrogen phosphate

Acta Crystallographica Section E, 2013
A charge-assisted hydrogen-bonding network involving N—H...O and O—H...O hydrogen bonds stabilizes the crystal of the title salt, C5H8N3+·H2PO4−.
Sajesh P. Thomas, Jyothi Sunkari
doaj   +1 more source

Diethyl 2,6-Dimethyl-4-(naphthalen-1-yl)-1,4-Dihydropyridine-3,5-Dicarboxylate [PDF]

, 2016
In the title compound, C23H25NO4, the 1,4-dihydropyridine ring adopts a flattened boat conformation. The naphthalene ring system forms a dihedral angle of 88.59 (6)° with the pyridine ring.
Noor Shahina Begum, ., Prasad, N.L.
core   +1 more source

Crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate

Acta Crystallographica Section E, 2014
In the title hydrate, C12H12O4·1.5H2O, one of the water molecules in the asymmetric unit is located on a twofold rotation axis. The molecule of the benzofuran derivative is essentially planar (r.m.s.
G. Krishnaswamy, P. A. Suchetan, S. Sreenivasa, S. Naveen, N. K. Lokanath, D. B. Aruna Kumar   +5 more
doaj   +1 more source

Hydrogen Dynamics in Superprotonic CsHSO4

, 2007
We present a detailed study of proton dynamics in the hydrogen-bonded superprotonic conductor CsHSO4 from first-principles molecular dynamics simulations, isolating the subtle interplay between the dynamics of the O--H chemical bonds, the O...H hydrogen ...
A. I. Baranov, A. V. Belushkin, A. V. Belushkin, B. V. Merinov, Brandon C. Wood, C. D. Godsil, C. J. T. von Grotthuss, Nicola Marzari, S. Warshall, V. V. Sinitsyn, W. Münch   +10 more
core   +1 more source

1-(4-Chlorophenyl)-3-(2,4-dichlorobenzoyl)thiourea [PDF]

, 2009
The title compound, C14H9Cl3N2OS, has bond lengths and angles which are quite typical for thiourea compounds of this class. The molecule exists in the solid state in its thione form with typical thiourea C=S and C=O bond lengths, as well as shortened C-N
M. Khawar Rauf, Michael Bolte, Amin Badshah, Allen, Baily, Blessing, Khawar Rauf, Khawar Rauf, Khawar Rauf, Khawar Rauf, Koch, Krishnamurthy, Maryanoff, Namgun, Patil, Sheldrick, Spek, Upadlgaya   +17 more
core   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

FEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li, Pedro A. Sánchez‐Murcia, Bernd Nidetzky   +2 more
wiley   +1 more source

Diethyl [(4-bromophenyl)(5-chloro-2-hydroxyanilino)methyl]phosphonate

Acta Crystallographica Section E, 2009
In the title compound, C17H20BrClNO4P, intermolecular C—H...O and N—H...O hydrogen bonds form centrosymmetric R22(10) dimers linked through O—H...O intermolecular hydrogen bonds, which form centrosymmetric R22(16) dimers ...
V. H. H. Surendra Babu, M. Krishnaiah, G. Syam Prasad, C. Suresh Reddy, Rajni Kant   +4 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

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

(R*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one

IUCrData, 2017
The title compound, C21H17NO2, crystallizes with two independent molecules (A and B) in the asymmetric unit. The indoline ring system is almost planar in both molecules (r.m.s. deviations = 0.020 and 0.024 Å for molecules A and B, respectively).
Srinivasan Bargavi, Siddan Gouthaman, Madurai Sugunnalakshmi, Srinivasakannan Lakshmi   +3 more
doaj   +1 more source