scholarly journals Crystal structure of 2-(methylamino)tropone

2019 ◽  
Vol 75 (8) ◽  
pp. 1128-1132
Author(s):  
Leandri Jansen van Vuuren ◽  
Hendrik G. Visser ◽  
Marietjie Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Small Deviations ◽  
Hydrogen Bonding Interactions ◽  
Complexes Of Transition Metals ◽  
Independent Molecules ◽  
The Stability

The title compound, 2-(methylamino)cyclohepta-2,4,6-trien-1-one, C8H9NO, crystallizes in the monoclinic space group P21/c, with three independent molecules in the asymmetric unit. The planarity of the molecules is indicated by planes fitted through the seven ring carbon atoms. Small deviations from the planes, with an extremal r.m.s. deviation of 0.0345 Å, are present. In complexes of transition metals with similar ligands, the large planar seven-membered aromatic rings have shown to improve the stability of the complex. Two types of hydrogen-bonding interactions, C—H...O and N—H...O, are observed, as well as bifurcation of these interactions. The N—H...O interactions link molecules to form infinite chains. The packing of molecules in the unit cell shows a pattern of overlapping aromatic rings, forming column-like formations. π–π interactions are observed between the overlapping aromatic rings at 3.4462 (19) Å from each other.

scholarly journals Crystal structure of a nucleoside model for the interstrand cross-link formed by the reaction of 2′-deoxyguanosine and an abasic site in duplex DNA

2016 ◽  
Vol 72 (5) ◽  
pp. 624-627 ◽  
Author(s):  
Michael J. Catalano ◽  
Kasi Viswanatharaju Ruddraraju ◽  
Charles L. Barnes ◽  
Kent S. Gates
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Abasic Site ◽  
Cross Link ◽  
Hydrogen Bonding Interactions ◽  
Independent Molecules

The title compound, 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-{[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]amino}-1H-purin-6(9H)-one, C17H25N5O7, crystallizes with two independent molecules (AandB) in the asymmetric unit. In the crystal, the guanosine moieties of moleculesAandBare linked by N—H...N and O—H...N hydrogen-bonding interactions, forming ribbons which are stacked to form columns along [100]. These columns are then linked by O—H...O hydrogen bonds between the ribose moieties and numerous C—H...O interactions to complete the three-dimensional structure.

scholarly journals 5-Amino-1-(2′,3′-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide: a crystal structure withZ′ = 4

2017 ◽  
Vol 73 (2) ◽  
pp. 183-187 ◽  
Author(s):  
Vincenzo Piccialli ◽  
Nicola Borbone ◽  
Giorgia Oliviero ◽  
Gennaro Piccialli ◽  
Stefano D'Errico ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Similar Conformation

The title compound, C12H20N4O5, crystallizes in the monoclinic space groupP21, with four crystallographically independent molecules in the asymmetric unit. The four molecules have a very similar conformation that is basically determined by the formation of two intramolecular hydrogen bonds between the amino NH2donors and the carbonyl and ring O-atom acceptors, forming, respectively,R(6) andR(7) ring motifs.. In the crystal, intermolecular hydrogen bonding leads to the formation ofR22(10) ring patterns, involving one amide CONH2donor and an imidazole N-atom acceptor. The cluster of the four independent molecules has approximate non-crystallographicC2point symmetry. The structural analysis also shows that during the synthesis of the title compound, the reductive cleavage of the D-ribose ring of the inosine precursor proceeds stereoselectively, with retention of configuration.

scholarly journals Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate

2018 ◽  
Vol 74 (11) ◽  
pp. 1569-1573
Author(s):  
Nikhila Pai ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Surface Analysis ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Independent Molecules

The asymmetric unit of the title thiazole derivative containing a sulfonylhydrazinic moiety, C9H8ClN3O3S2·H2O, consists of two independent molecules and two water molecules. The central parts of the molecules are twisted as both the molecules are bent at both the S and N atoms. In the crystal, N—H...N, N—H...O, C—H...O and O—H...O hydrogen-bonding interactions connect the molecules, forming layers parallel to the ab plane. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from O...H/H...O (32.9%) and H...H (22.6%) interactions.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

scholarly journals Crystal structure of 5-chloro-N1-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine

2017 ◽  
Vol 73 (6) ◽  
pp. 876-879
Author(s):  
Yegor Yartsev ◽  
Vitaliy Palchikov ◽  
Alexandr Gaponov ◽  
Svitlana Shishkina
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Pyrazole Ring ◽  
Steric Repulsion ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Bond Forming ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The title compound, C15H13ClN4, crystallizes with two independent molecules (AandB) in the asymmetric unit, which are far from planar as a result of steric repulsion between the rings. The benzene and phenyl rings are inclined to the central pyrazole ring by 46.64 (10) and 17.87 (10)° in moleculeA, and by 40.02 (10) and 14.18 (10)° in moleculeB. The aromatic rings are inclined to one another by 58.77 (9)° in moleculeA, and 36.95 (8)° in moleculeB. In the crystal, theAandBmolecules are linked by two pairs of N—H...N hydrogen bonds formingA–Bdimers. These are further linked by a fifth N—H...N hydrogen bond, forming tetramer-like units that stack along thea-axis direction, forming columns, which are in turn linked by C—H...π interactions, forming layers parallel to theacplane.

4,4′-Dibenzyl-5,5′-(pyridine-2,6-diyl)bis(3,4-dihydro-2H-1,2,4-triazole-3-thione)

2006 ◽  
Vol 62 (5) ◽  
pp. o1822-o1823
Author(s):  
Sibel Demir ◽  
Muharrem Dinçer ◽  
Ahmet Çetin ◽  
Osman Dayan ◽  
Ahmet Cansız
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Tautomeric Form ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Independent Molecules

The title compound, C23H19N7S2, adopts the ketoamine tautomeric form and displays C—H...N hydrogen-bonding interactions. There are two independent molecules in the asymmetric unit.

The self-assembling zwitterionic form ofL-phenylalanine at neutral pH

2014 ◽  
Vol 70 (3) ◽  
pp. 326-331 ◽  
Author(s):  
Estelle Mossou ◽  
Susana C. M. Teixeira ◽  
Edward P. Mitchell ◽  
Sax A. Mason ◽  
Lihi Adler-Abramovich ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Hydrogen Bonding ◽  
The Self ◽  
Monoclinic Space Group ◽  
X Rays ◽  
Asymmetric Unit ◽  
Zwitterionic Form ◽  
Self Assembling ◽  
Hydrogen Bonding Interactions ◽  
Resolution Structure

The title zwitterion (2S)-2-azaniumyl-1-hydroxy-3-phenylpropan-1-olate, C9H11NO2, also known as L-phenylalanine, was characterized using synchrotron X-rays. It crystallized in the monoclinic space groupP21with four molecules in the asymmetric unit. The 0.62 Å resolution structure is assumed to be closely related to the fibrillar form of phenylalanine, as observed by electron microscopy and electron diffraction. The structure exists in a zwitterionic form in which π–π stacking and hydrogen-bonding interactions are believed to form the basis of the self-assembling properties.

scholarly journals Crystal structure of (E)-2-{[(4-anilinophenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (1) ◽  
pp. 28-30 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Turganbay S. Iskenderov ◽  
Natalia O. Sharkina
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Independent Molecules ◽  
Phenol Ring

The title compound, C19H16N2O, crystallized with two independent molecules (AandB) in the asymmetric unit. There is an intramolecular O—H...N hydrogen bond in each molecule with the phenol ring being inclined to the central benzene ring by 4.93 (14) and 7.12 (14)° in moleculesAandB, respectively. The conformation of the two molecules differs essentially in the orientation of the terminal aminophenyl ring with respect to the central benzene ring; this dihedral angle is 50.51 (4)° in moleculeAand 54.61 (14)° in moleculeB. The two outer aromatic rings are inclined to one another by 51.39 (14) and 49.88 (14)° in moleculesAandB, respectively. In the crystal, molecules are connected by N—H...O hydrogen bonds generating –A-B–A–B– zigzag chains extending along [010]. The chains are linkedviaC—H...π interactions involving neighbouringAmolecules, forming slabs lying parallel to (100).

scholarly journals 2-[(2,6-Diisopropylphenyl)iminomethyl]-4-iodophenol

2012 ◽  
Vol 68 (6) ◽  
pp. o1915-o1915
Author(s):  
P. Balamurugan ◽  
K. Kanmani Raja ◽  
I. Mohammed Bilal ◽  
G. Chakkaravarthi ◽  
G. Rajagopal
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Structures ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of title compound, C19H22INO, contains two independent molecules. Classical intramolecular O—H...N hydrogen bonds stabilize the molecular structures. The crystal structure is stabilized by weak intermolecular C—H...π and π–π [centroid–centroid = 3.8622 (18) Å] interactions. In both molecules, the aromatic rings are nearly perpendicular to each other [dihedral angles = 84.26 (17) and 86.69 (15)°].

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