Zobrazeno 1 - 10
of 92
pro vyhledávání: '"Michal Hušák"'
Publikováno v:
Crystals, Vol 7, Iss 10, p 322 (2017)
FOX (Free Objects for Xtallography) is a computer program for solving crystal structures of all types of compounds using the powder data (but also the single crystal data) measured using X-ray, neutron and electron diffraction. It works in direct spa
Externí odkaz:
https://doaj.org/article/8b9481ee5b6e482aaed9f6196d0136dd
Publikováno v:
Acta Crystallographica Section E, Vol 66, Iss 12, Pp o3350-o3351 (2010)
The title compound [systematic name: 10-methylbenzo[g]pteridine-2,4(3H,10H)-dione 5-oxide], C11H8N4O3, consists of a large rigid isoalloxazine group which is approximately planar (r.m.s. deviation = 0.037 Å). In the crystal, intermolecular N—H...O
Externí odkaz:
https://doaj.org/article/17286876e96e4a70a4a8d4fe0129d369
Autor:
Jan Rohlíček, Jaroslav Maixner, Richard Pažout, Michal Hušák, Jana Cibulková, Bohumil Kratochvíl
Publikováno v:
Acta Crystallographica Section E, Vol 66, Iss 4, Pp o821-o821 (2010)
The title compound [systematic name: (8S)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione], C9H14N2O2, consists of two connected rings, viz. a piperazine-2,5-dione (DKP) ring and a five-membered ring. The DKP ring adopts a slight boat conformation and
Externí odkaz:
https://doaj.org/article/eafb5b7afdfd4c1cb311cacdfd263895
Publikováno v:
Acta Crystallographica Section E, Vol 65, Iss 12, Pp o3252-o3253 (2009)
The title compound {systematic name: 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-d-lysergamide maleate}, C20H26N3O2+·C4H3O4−, contains a large rigid ergolene group. This group consists of an indole plane connected to a six-membered carbon ring adop
Externí odkaz:
https://doaj.org/article/6ee2d38c09504ba3995f081616b1fd3e
Publikováno v:
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 78:781-788
Validation of a method for distinguishing between salts and cocrystals based on dispersion-corrected density functional theory is presented. Existing related works (van de Streek & Neumann, 2010; LeBlanc et al., 2018) indicate that this approach is p
Autor:
Alexandr Jegorov, Pavel Vraspir, Andrew N. Fitch, Jan Rohlíček, Simona Žižková, Pavel Kolesa, Jiri Czernek, Jiri Brus, Michal Hušák
Publikováno v:
Crystal Growth & Design. 19:4625-4631
The determination of crystal structures from powder X-ray diffraction (PXRD) data by using direct-space methods is significantly limited by the degrees of conformational freedom (DOF). This limit c...
Autor:
Jiří Czernek, Alexandr Jegorov, Jan Rohlíček, Libor Kobera, Andrew N. Fitch, Michal Hušák, Jiří Brus
Publikováno v:
Crystal Growth & Design. 18:3616-3625
Uncertainties in the structure determination of peptide analogs of boronic acid, exacerbated by the many coordination modes of boron, represent an obstacle in understanding their role in living organisms and thus also in developing the next generatio
Publikováno v:
Acta Crystallographica Section A Foundations and Advances. 77:C761-C761
Autor:
Argyro Chatziadi, Lubomír Rulíšek, Jiří Klimeš, Luděk Ridvan, Pavel Sebek, Daniel Bím, Michal Hušák, Eliška Skořepová, Tereza Boleslavská, Josef Beranek
Publikováno v:
Crystal Growth & Design. 17:5283-5294
The search for new solid forms of an active pharmaceutical ingredient (API) is an important step in drug development. Often, an API has a low water solubility, which then leads to low oral bioavailability. For basic or acidic APIs, the rational solut
Autor:
Roman Böttger, Anna Macková, Jakub Cajzl, Alexander Kromka, Pavla Nekvindova, Marian Varga, Petr Malinský, Zdeněk Remeš, David Sedmidubský, Michal Hušák, Jiří Oswald
Publikováno v:
Physical Chemistry Chemical Physics. 19:6233-6245
Diamond is proposed as an extraordinary material usable in interdisciplinary fields, especially in optics and photonics. In this contribution we focus on the doping of diamond with erbium as an optically active centre. In the theoretical part of the