scholarly journals Crystal structures of three functionalized chalcones: 4′-dimethylamino-3-nitrochalcone, 3-dimethylamino-3′-nitrochalcone and 3′-nitrochalcone

2020 ◽  
Vol 76 (10) ◽  
pp. 1599-1604
Author(s):  
Charlie L. Hall ◽  
Victoria Hamilton ◽  
Jason Potticary ◽  
Matthew E. Cremeens ◽  
Natalie E. Pridmore ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Functional Groups ◽  
Organic Molecules ◽  
Two Dimensional ◽  
Large Dataset ◽  
Acta Cryst ◽  
Small Organic Molecules ◽  
Hydrogen Bonding Interactions

The structure of three functionalized chalcones (1,3-diarylprop-2-en-1-ones), containing combinations of nitro and dimethylamino functional groups, are presented, namely, 1-[4-(dimethylamino)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one, C17H16N2O3, Gp8m, 3-[3-(dimethylamino)phenyl]-1-(3-nitrophenyl)prop-2-en-1-one, C17H16N2O3, Hm7m and 1-(3-nitrophenyl)-3-phenylprop-2-en-1-one, C15H11NO3, Hm1-. Each of the molecules contains bonding motifs seen in previously solved crystal structures of functionalized chalcones, adding to the large dataset available for these small organic molecules. The structures of all three of the title compounds contain similar bonding motifs, resulting in two-dimensional planes of molecules formed via C—H...O hydrogen-bonding interactions involving the nitro- and ketone groups. The structure of Hm1- is very similar to the crystal structure of a previously solved isomer [Jing (2009). Acta Cryst. E65, o2510].

scholarly journals Crystal structure of a trigonal polymorph of aquadioxidobis(pentane-2,4-dionato-κ2 O,O′)uranium(VI)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Alejandro Hernandez ◽  
Indranil Chakraborty ◽  
Gabriela Ortega ◽  
Christopher J. Dares
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Title Compound ◽  
Uranium Atom ◽  
Intermolecular Hydrogen Bonding ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst

The title compound, [UO2(acac)2(H2O)] consists of a uranyl(VI) unit ([O=U=O]2+) coordinated to two monoanionic acetylacetonate (acac, C5H7O2) ligands and one water molecule. The asymmetric unit includes a one-half of a uranium atom, one oxido ion, one-half of a water molecule and one acac ligand. The coordination about the uranium atom is distorted pentagonal–bipyramidal. The acac ligands and Ow atom comprise the equatorial plane, while the uranyl O atoms occupy the axial positions. Intermolecular hydrogen bonding between complexes results in the formation of two-dimensional hexagonal void channels along the c-axis direction with a diameter of 6.7 Å. The monoclinic (P21/c space group) polymorph was reported by Alcock & Flanders [(1987). Acta Cryst. C43, 1480–1483].

scholarly journals Crystal structures ofN′-aminopyridine-2-carboximidamide andN′-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide

2017 ◽  
Vol 73 (7) ◽  
pp. 1021-1025
Author(s):  
Francois Eya'ane Meva ◽  
Timothy John Prior ◽  
David John Evans ◽  
Emmanuel Roland Mang
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Dimensional Chain ◽  
Two Dimensional ◽  
One Dimensional ◽  
Bond Lengths ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonding Network

The crystal structures ofN′-aminopyridine-2-carboximidamide (C6H8N4),1, andN′-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide (C13H13N5),2, are described. The non-H atoms in compound1are nearly planar (r.m.s. deviation from planarity = 0.0108 Å), while2is twisted about the central N—N bond by 17.8 (2)°. Both molecules are linked by intermolecular N—H...N hydrogen-bonding interactions;1forms a two-dimensional hydrogen-bonding network and for2the network is a one-dimensional chain. The bond lengths of these molecules are similar to those in other literature reports of azine and diimine systems.

scholarly journals Crystal structure of bis(acetylacetonato-κ2O,O′)(tetrahydrofuran-κO)(trifluoromethanesulfonato-κO)iron(III)

2015 ◽  
Vol 71 (10) ◽  
pp. 1165-1168
Author(s):  
Casseday P. Richers ◽  
Jeffery A. Bertke ◽  
Thomas B. Rauchfuss
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Site Occupancy ◽  
Title Complex ◽  
Two Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Length Range ◽  
A Site

The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetylacetonate; OTf = trifluoromethanesulfonate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe3+atom in a slightly distorted octahedral environment [Fe—O bond-length range = 1.9517 (11)–2.0781 (11) Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16). Weak intermolecular C—H...O and C—H...F hydrogen-bonding interactions generate a two-dimensional supramolecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis(acetylacetonato)iron(III) complex.

scholarly journals Crystal structures of chlorido[dihydroxybis(1-iminoethoxy)]arsanido-κ3 N,As,N′]platinum(II) and of a polymorph of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 180-185
Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Donor Ligands ◽  
Intermolecular Hydrogen Bonding ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Oxygen Donor ◽  
Dimensional Network

Each central platinum(II) atom in the crystal structures of chlorido[dihydroxybis(1-iminoethoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitrogen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal–bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intramolecular and four classical intermolecular hydrogen-bonding interactions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intramolecular and four classical intermolecular hydrogen-bonding interactions) is observed in the crystal structure of (2). Various π-interactions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225 (7) Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring molecules with distances of 3.7456 (4) and 3.7960 (6) Å. Likewise, weak π-interactions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213 (2) Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252 (12) Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013). Angew. Chem. Int. Ed. 52, 10749–10752] are discussed.

1-[1-(2-Chlorophenyl)ethylidene]thiosemicarbazide

2007 ◽  
Vol 63 (3) ◽  
pp. o1160-o1161 ◽  
Author(s):  
Jian-Gang Wang ◽  
Fang-Fang Jian ◽  
Xiao-Yan Ren ◽  
Shi-Hong Kan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Room Temperature ◽  
Two Dimensional ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C9H10CIN3S, was prepared by the reaction of thiosemicarbazide with 1-(2-chlorophenyl)ethanone at room temperature. The packing is stabilized by hydrogen bonds. In the crystal structure, molecules are linked into two-dimensional layers by intermolecular N—H...S hydrogen-bonding interactions.

(E)-3-(2-Nitriminoimidazolidin-1-yl)-1-phenylpropan-1-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4242-o4242
Author(s):  
Haibo Yu ◽  
Bingnan Zhang ◽  
Jianxin Fang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Imidazole Ring ◽  
Dimensional Chain ◽  
Two Dimensional ◽  
One Dimensional ◽  
Compound C ◽  
Hydrogen Bonding Interactions

In the crystal structure of the title compound, C12H14N4O3, the dihedral angle between the phenyl and imidazole rings is 76.55 (7)°. The nitrite O atoms of the (E)-2-nitriminoimidazolidin-1-yl group act as the acceptors of three N—H...O hydrogen bonds from the N atom of the imidazole ring, resulting in a one-dimensional chain. C—H...O hydrogen-bonding interactions are also observed in this complex, extending the structure into a two-dimensional supramolecular sheet.

scholarly journals Crystal structure of 3-(adamantan-1-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (2) ◽  
pp. o115-o116 ◽  
Author(s):  
Reem I. Al-Wabli ◽  
Ali A. El-Emam ◽  
Obaid S. Alroqi ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Dimensional Structure ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C18H20ClN3S, is a functionalized triazoline-3-thione derivative. The benzene ring is almost perpendicular to the planar 1,2,4-triazole ring [maximum deviation = 0.007 (1) Å] with a dihedral angle of 89.61 (5)° between them and there is an adamantane substituent at the 3-position of the triazolethione ring. In the crystal, N—H...S hydrogen-bonding interactions link the molecules into chains extending along thec-axis direction. The crystal packing is further stabilized by weak C—H...π interactions that link adjacent chains into a two-dimensional structure in thebcplane. The crystal studied was an inversion twin with a 0.50 (3):0.50 (3) domain ratio.

scholarly journals Crystal structures of 2-[3,5-bis(bromomethyl)-2,4,6-triethylbenzyl]isoindoline-1,3-dione and 2-{5-(bromomethyl)-3-[(1,3-dioxoisoindolin-2-yl)methyl]-2,4,6-triethylbenzyl}isoindoline-1,3-dione

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Manuel Stapf ◽  
Betty Leibiger ◽  
Anke Schwarzer ◽  
Monika Mazik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Molecular Conformation ◽  
Halogen Bond ◽  
Asymmetric Unit ◽  
Space Group ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions

The title compounds, C23H25Br2NO2 (1) and C31H29BrN2O4 (2), crystallize in the space group P21/n with two (1-A and 1-B) and one molecules, respectively, in the asymmetric unit of the cell. The molecular conformation of these compounds is stabilized by intramolecular C—H...O hydrogen bonds and C—H...N or C—H...π interactions. The crystal structure of 1 features a relatively strong Br...O=C halogen bond, which is not observed in the case of 2. Both crystal structures are characterized by the presence of C—H...Br hydrogen bonds and numerous intermolecular C—H...O hydrogen-bonding interactions.

Study on Novel Structure of Gadolinium Complex: Gd (C3 H6O9)

2012 ◽  
Vol 557-559 ◽  
pp. 401-404
Author(s):  
Hai Xing Liu ◽  
Li Mei Wan ◽  
Qing Zhi Pan ◽  
Hui Juan Yue ◽  
Guang Zeng ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Layered Structure ◽  
Hydrothermal Reaction ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Gadolinium Complex ◽  
Hydrogen Bonding Interactions ◽  
Novel Structure

A novel Gadolinium complex Gd (C3O9H6) has been synthesized from a hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Gd atom is coordinated by sixteen O atoms. The two-dimensional layered structure is formed and exhibits extensive O-H…O hydrogen-bonding interactions.

(E)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: a natural polymorph extracted fromAristotelia chilensis(Maqui)

2013 ◽  
Vol 69 (7) ◽  
pp. 765-769
Author(s):  
Cristian Paz ◽  
Yanko Moreno ◽  
José Becerra ◽  
Mario Silva ◽  
Viviana Burgos ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Point Of View ◽  
Acta Cryst ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Native Tree ◽  
Aristotelia Chilensis

The natural title compound, C11H12O4, extracted from the Chilean native treeAristotelia chilensis(Maqui), is a polymorph of the syntheticEform reported by Xia, Hu & Rao [Acta Cryst.(2004), E60, o913–o914]. Both rotational conformers are identical from a metrical point of view, and only differ in the orientation of the 3,4-dihydroxyphenyl ring with respect to the rest of the molecule, which leads to completely different crystal structure arrangements and packing efficiencies. The reasons behind both reside in the different hydrogen-bonding interactions.

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