scholarly journals Crystal structure ofN-{N-[N-acetyl-(S)-leucyl]-(S)-leucyl}norleucinal (ALLN), an inhibitor of proteasome

2015 ◽  
Vol 71 (3) ◽  
pp. 254-257 ◽  
Author(s):  
Andrzej Czerwinski ◽  
Channa Basava ◽  
Miroslawa Dauter ◽  
Zbigniew Dauter
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Hydrogen Bonds ◽  
Diffraction Data ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Synchrotron Radiation Diffraction ◽  
Enzyme Complexes ◽  
Β Sheet

The title compound, C20H37N3O4, also known by the acronym ALLN, is a tripeptidic inhibitor of the proteolytic activity of the proteasomes, enzyme complexes implicated in several neurodegenerative diseases and other disorders, including cancer. The crystal structure of ALLN, solved from synchrotron radiation diffraction data, revealed the molecules in extended conformation of the backbone and engaging all peptide N and O atoms in intermolecular hydrogen bonds forming an infinite antiparallel β-sheet.

scholarly journals 2,6-Bis(4-methoxybenzylidene)cyclohexanone

2006 ◽  
Vol 62 (5) ◽  
pp. o1910-o1912 ◽  
Author(s):  
Ray J. Butcher ◽  
H. S. Yathirajan ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
J. Indira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Photon Absorption ◽  
Intermolecular Hydrogen Bonds ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Compound C ◽  
Centrosymmetric Dimers

The title compound, C22H22O3, demonstrates a two-photon absorption. Its metrical parameters are similar to those of related cyclohexanone derivatives. In the crystal structure, two sets of centrosymmetric dimers formed by weak C—H...O intermolecular hydrogen bonds combine to form molecular tapes along [101].

1-(4-Chlorophenyl)-4-(2-furoyl)-3-(2-furyl)-1H-pyrazol-5-ol

2007 ◽  
Vol 63 (3) ◽  
pp. o1289-o1290 ◽  
Author(s):  
Jin-Zhou Li ◽  
Heng-Qiang Zhang ◽  
Hong-Xin Li ◽  
Pi-Zhi Che ◽  
Tian-Chi Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Hydroxyl Groups ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Graph Set

The crystal structure of the title compound, C18H11ClN2O4, contains intra- and intermolecular hydrogen bonds that link the ketone and hydroxyl groups. The intermolecular hydrogen bond results in the formation of a dimer with an R 2 2(12) graph-set motif.

2,5-Dibromopyridinium hexabromidostannate(IV)

2007 ◽  
Vol 63 (3) ◽  
pp. m892-m894 ◽  
Author(s):  
Basem Fares Ali ◽  
Rawhi Al-Far
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Distorted Octahedral

The asymmetric unit of the title compound, (C5H4Br2N)2[SnBr6], contains one cation and one half-anion. The anion exhibits a distorted octahedral arrangement about the Sn atom, which lies on a crystallographic twofold rotation axis. In the crystal structure, intermolecular hydrogen bonds and short Br...Br interactions cause the formation of a supramolecular architecture, in which they may be effective in the stabilization of the structure.

Ornidazole hemihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4204-o4204 ◽  
Author(s):  
Liping Deng ◽  
Wei Wang ◽  
Jianguo Lv
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the racemic title compound, C7H10ClN3O3·0.5H2O, has two independent molecules of ornidazole. The crystal structure is formed via intermolecular hydrogen bonds involving the water molecules.

3,5-Bis(salicylideneamino)-1H-1,2,4-triazole methanol solvate

2006 ◽  
Vol 62 (4) ◽  
pp. o1424-o1425
Author(s):  
Ru-Mei Cheng ◽  
Yi-Zhi Li ◽  
Sheng-Ju Ou ◽  
Xue-Tai Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Grid Structure ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Ribbon Structure

In the crystal structure of the title compound, C16H13N5O2·CH4O, there are intra- and intermolecular hydrogen bonds. Molecules form dimers, which are extended to afford a ribbon structure. These ribbons are further packed, forming a three-dimensional grid structure.

3-(5-Chloro-2-hydroxyanilino)isobenzofuran-1(3H)-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4343-o4343
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

The crystal structure of the title compound, C14H10ClNO3, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by C—H...π and π–π interactions (centroid-to-centroid distance 3.681 Å and plane-to plane separation 3.618 Å). The O—H...O and C—H...O hydrogen bonds generate edge-fused R 2 1(6)R 4 4(27)R 2 1(6) ring motifs. The phthalide part of the molecule is planar and is inclined at 76.8 (2)° to the benzene ring of the aminophenyl group.

(3aR,4R,4aS,9aR)-4-Hydroxyperhydrofuro[2,3-f]indolizin-7(2H)-one

2007 ◽  
Vol 63 (3) ◽  
pp. o1452-o1454 ◽  
Author(s):  
Ľubomír Švorc ◽  
Viktor Vrábel ◽  
Jozef Kožíšek ◽  
Štefan Marchalín ◽  
Jozefína Žúžiová
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C

In the title compound, C10H15NO3, the central six-membered ring has a chair conformation. The conformations of the fused furan and oxopyrrolidine rings are close to envelopes. Molecules form chains parallel to the a axis via O—H...O intermolecular hydrogen bonds, which help to stabilize the crystal structure.

1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea

2012 ◽  
Vol 68 (12) ◽  
pp. o485-o487 ◽  
Author(s):  
Tirtha Bhattacharjee ◽  
Prasanta Gogoi ◽  
Vedavati G. Puranik ◽  
Rupesh L. Gawade ◽  
Pranjit Barman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Van Der Waals ◽  
Membered Ring ◽  
Van Der Waals Interactions ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C

In the title compound, C21H18N2OS2, a strong intramolecular N—H...O hydrogen bond [N...O = 2.642 (3) Å] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N—H...S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

3-[(2-Hydroxy-5-nitrophenyl)amino]-2-benzofuran-1(3H)-one monohydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o3042-o3043 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C14H10N2O5·H2O, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by π–π interactions. The dihedral angle between the phthalide group and the benzene ring is 51.45 (8)°.

scholarly journals Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent]

2019 ◽  
Vol 75 (5) ◽  
pp. 562-564
Author(s):  
R. Manohar ◽  
M. Harikrishna ◽  
S. Harikrishna Etti ◽  
C. Ramanathan ◽  
K. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Molecular Weight ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Pyrrolidine Ring ◽  
Intermolecular Hydrogen Bonds ◽  
Acta Cryst ◽  
Compound C

In the title compound, C19H15Cl6NO4 [+solvent], the six-membered ring of the norbornene moiety adopts a boat conformation and the two five-membered rings have envelope conformations. The pyrrolidine ring makes a dihedral angle of 14.83 (12)° with the 3,4-dimethoxyphenyl ring, which are attached to each other by an extended N—CH2—CH2—Car bridge. In the crystal, the structure features C—H...O intermolecular hydrogen bonds, an offset π–π interaction [intercentroid distance = 3.564 (1) Å] and a C—Cl...π interaction. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18] of PLATON. The solvent contribution was not included in the reported molecular weight and density.

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