scholarly journals Crystal structure of 2-{[5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl]oxy}-1-(4-methylphenyl)ethan-1-one

2021 ◽  
Vol 77 (10) ◽  
pp. 1054-1057
Author(s):  
Nadia H. Metwally ◽  
Galal H. Elgemeie ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Atom ◽  
Oxygen Atom ◽  
Pyrazole Ring ◽  
Ring Plane ◽  
Screw Axis ◽  
Compound C ◽  
Ribbon Structure ◽  
Intramolecular Hydrogen

In the title compound, C18H17N3O4S, the pyrazole ring is planar, with the sulfur atom lying 0.558 (1) Å out of the ring plane. The NH2 group is involved in an intramolecular hydrogen bond to a sulfonyl oxygen atom; its other hydrogen atom forms an asymmetric three-centre hydrogen bond to the two oxygen atoms of the —O—CH2—C=O— grouping, via the 21 screw axis, forming a ribbon structure parallel to the b axis. Translationally adjacent, coplanar ribbons form a layer parallel to (10\overline{4}).

scholarly journals Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde

2021 ◽  
Vol 77 (10) ◽  
pp. 1029-1032
Author(s):  
Pierre Seidel ◽  
Anke Schwarzer ◽  
Monika Mazik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Atom ◽  
Oxygen Atom ◽  
Hirshfeld Surface ◽  
Asymmetric Unit ◽  
Compound C ◽  
Graph Set ◽  
Adjacent Molecule ◽  
Molecular Layers

The title compound, C20H18O3, crystallizes in the space group P21/c with one molecule in the asymmetric unit of the cell. The fluorene skeleton is nearly planar and the crystal structure is composed of molecular layers extending parallel to the (302) plane. Within a layer, one formyl oxygen atom participates in the formation of a Carene—H...O bond, which is responsible for the formation of an inversion symmetric supramolecular motif of graph set R 2 2(10). A second oxygen atom is involved in an intramolecular Carene—H...O hydrogen bond and is further connected with a formyl hydrogen atom of an adjacent molecule. A Hirshfeld surface analysis indicated that the most important contributions to the overall surface are from H...H (46.9%), O...H (27.9%) and C...H (17.8%) interactions.

scholarly journals Crystal structure of 2-{[2-methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol

2015 ◽  
Vol 71 (7) ◽  
pp. o466-o467 ◽  
Author(s):  
Nevzat Karadayı ◽  
Songül Şahin ◽  
Yavuz Köysal ◽  
Emine Coşkun ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Helical Chain ◽  
Screw Axis ◽  
Imine Group ◽  
Compound C ◽  
Benzene Rings ◽  
Axis Parallel

In the title compound, C15H11F3N2O4, the N=C bond of the central imine group adopts anEconformation. The dihedral angle between two benzene rings is 6.2 (2)°. There is an intramolecular bifurcated O—H...(N,O) hydrogen bond withS(6) andS(9) ring motifs. In the crystal, molecules are linked by C—H...O hydrogen bonds into a helical chain along the 31screw axis parallel toc. The –CF3group shows rotational disorder over two sites, with occupancies of 0.39 (2) and 0.61 (2).

1-{[5-Fluoro-2-(trifluoromethyl)phenyl]iminomethyl}-2-naphthol

2007 ◽  
Vol 63 (3) ◽  
pp. o1407-o1408
Author(s):  
Yun-Fa Zheng ◽  
Liang-Gui Wang ◽  
Guo-Bing Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interactions ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C18H11F4NO, a Schiff base, has been structurally characterized. One intramolecular hydrogen bond influences the conformation of the molecule. The crystal structure is extended into a one-dimensional chain along the c axis via π–π stacking interactions.

scholarly journals Crystal structure of (E)-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole

2014 ◽  
Vol 70 (12) ◽  
pp. o1246-o1247 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Hussein M. S. El-Kashef ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Extended Conformation ◽  
Compound C ◽  
Benzene Rings

The title compound, C21H17N7O4, is in an `extended' conformation aided by an intramolecular N—H...O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17 (6), 65.47 (4) and 9.91 (7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, molecules are connected by pairs of N—H...O and C—H...O hydrogen bonds, forming inversion dimers which associate into ribbons running along thebaxis through complementary C—H...O 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.

Methyl 5-phenyl-1H-pyrazole-3-carboxylate

2007 ◽  
Vol 63 (11) ◽  
pp. o4474-o4474 ◽  
Author(s):  
Guanghua Zhou ◽  
Yue An ◽  
Jing Han ◽  
Maofa Ge ◽  
Yongheng Xing
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyrazole Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Different Types ◽  
Neighboring Molecule

The title compound, C11H10N2O2, was prepared by the esterfication of 5-phenyl-1H-pyrazole-3-carboxylic acid with methanol. The phenyl ring is rotated out of the pyrazole plane, forming a dihedral angle of 6.4 (1)°. The crystal structure is stabilized by intermolecular aromatic π–π interactions [with a centroid–centroid distance of 3.862 (3) Å between the pyrazole ring and the benzene ring of a neighboring molecule], and by three different types of hydrogen bond (N—H...N, N—H...O and C—H...O).

scholarly journals Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide

2019 ◽  
Vol 75 (7) ◽  
pp. 939-941
Author(s):  
Victor A. Trush ◽  
Nataliia S. Kariaka ◽  
Viktoriya V. Dyakonenko ◽  
Svitlana V. Shishkina ◽  
Vladimir M. Amirkhanov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Metal Ions ◽  
Intermolecular Interactions ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Bidentate Chelate ◽  
Intramolecular Hydrogen

In the title compound, C20H18NO3P, the C=O and P=O groups of the carbacylamidophosphate (CAPh) fragments are located in a synclinal position relative to each other and are pre-organized for bidentate chelate coordination of metal ions. The N—H group is involved in the formation of an intramolecular hydrogen bond. In the crystal, molecules do not form strong intermolecular interactions but the molecules are linked via weak C—H...π interactions, forming chains along [001].

scholarly journals Crystal structure of (E)-4-methoxy-2-{[(5-methylpyridin-2-yl)imino]methyl}phenol

2015 ◽  
Vol 71 (11) ◽  
pp. o819-o819 ◽  
Author(s):  
Farook Adam ◽  
Md Azharul Arafath ◽  
Rosenani Anwaeul Haque ◽  
Mohd Rizal Razali
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Double Bond ◽  
Dihedral Angle ◽  
Compound C ◽  
Benzene Rings ◽  
Schiff Base Compound ◽  
Intramolecular Hydrogen ◽  
Base Compound

The molecule of the title Schiff base compound, C14H14N2O2, displays anEconformation with respect the imine C=N double bond. The molecule is approximately planar, with the dihedral angle formed by the planes of the pyridine and benzene rings being 5.72 (6)°. There is an intramolecular hydrogen bond involving the phenolic H and imine N atoms.

scholarly journals Crystal structure of (E)-2-{[(6-methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol

2015 ◽  
Vol 71 (4) ◽  
pp. 385-387
Author(s):  
Yousef Hijji ◽  
Belygona Barare ◽  
Gilbert Wairia ◽  
Ray J. Butcher ◽  
Jan Wikaira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Ring Motif ◽  
Base Moiety

The title compound, C15H12N2O2S, crystallizes in the orthorhombic space groupPna21, with two molecules in the asymmetric unit (Z′ = 2). Each molecule consists of a 2-hydroxy Schiff base moiety linked through a spacer to a 2-aminobenzothiazole moiety. Each molecule contains an intramolecular hydrogen bond between the –OH group and imine N atom, forming a six-membered ring. The two independent molecules are linked by a pair of C—H...O hydrogen bonds, forming dimers with anR22(20) ring motif. These dimers are further lined into sheets in theabplane by weak intermolecular C—H...N interactions. The structure was refined as an inversion twin

scholarly journals 2-[5-(2-Methylphenyl)-3-(2-methylstyryl)-4,5-dihydro-1H-pyrazol-1-yl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyrimidine chloroform monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. o789-o790 ◽  
Author(s):  
Alex Fabiani Claro Flores ◽  
Darlene Correia Flores ◽  
Juliano Rosa de Menezes Vicenti ◽  
Patrick Teixeira Campos
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Benzene Rings

In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloroform solvate molecules connect the pyrimidine molecules into chains along [101] through weak C—H...N and C—H...Cl hydrogen-bond interactions. There are further connections between adjacent chains through F...Cl halogen contacts of 3.185 (3) Å, with the –CF3group presenting a significant short F...F interchain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings.

Sign in / Sign up

Export Citation Format

Share Document