The versatile ethanol molecule

2020 ◽  
Vol 2020 (5) ◽  
pp. 3
Keyword(s):  
Ethanol Molecule

scholarly journals Crystal structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate

2016 ◽  
Vol 72 (3) ◽  
pp. 283-286
Author(s):  
Md. Lutfor Rahman ◽  
Ajaykumar D. Kulkarni ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Interplanar Spacing ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Ethanol Molecule ◽  
Compound C ◽  
Ethanol Solvate

The title indolin-2-one compound, C28H23FN4O·C2H6O, crystallizes as a 1:1 ethanol solvate. The ethanol molecule is disordered over two positions with refined site occupancies of 0.560 (14) and 0.440 (14). The pyrazole ring makes dihedral angles of 84.16 (10) and 85.33 (9)° with the indolin-2-one and indole rings, respectively, whereas the dihedral angle between indolin-2-one and indole rings is 57.30 (7)°. In the crystal, the components are linked by N—H...O and O—H...O hydrogen bonds, forming an inversion molecule–solvate 2:2 dimer withR44(12) ring motifs. The crystal structure is consolidated by π–π interaction between pairs of inversion-related indolin-2-one rings [interplanar spacing = 3.599 (2) Å].

Dichloro(ethanol-κO){(E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazonato-κ3 N,N′,S}indium(III)

2007 ◽  
Vol 63 (3) ◽  
pp. m845-m846 ◽  
Author(s):  
Ying-Ju Fan ◽  
Le Wang ◽  
Jian-Ping Ma ◽  
Zhong-Xi Sun
Keyword(s):  
Title Complex ◽  
Enol Form ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Ethanol Molecule ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Cl Atoms

Reaction of indium(III) chloride with (E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazide afforded the title complex, [In(C8H9N4S)Cl2(C2H5OH)]. The ligand is in the enol form coordinating to the InIII atom through one S atom and two N atoms. The InIII atom is further coordinated by two Cl atoms and an ethanol molecule to complete a distorted octahedral coordination geometry.

scholarly journals Lamotrigine ethanol monosolvate

2018 ◽  
Vol 74 (5) ◽  
pp. 678-681 ◽  
Author(s):  
Charlie L. Hall ◽  
Jason Potticary ◽  
Hazel A. Sparkes ◽  
Natalie E. Pridmore ◽  
Simon R. Hall
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Psychiatric Disorders ◽  
Single Crystals ◽  
Active Pharmaceutical Ingredient ◽  
Saturated Solution ◽  
Anhydrous Ethanol ◽  
Slow Evaporation ◽  
Ethanol Molecule ◽  
Ethyl Group

Lamotrigine is an active pharmaceutical ingredient used as a treatment for epilepsy and psychiatric disorders. Single crystals of an ethanolate solvate, C9H7Cl2N5·C2H5OH, were produced by slow evaporation of a saturated solution from anhydrous ethanol. Within the crystal structure, the lamotrigine molecules form dimers through N—H...N hydrogen bonds involving the amine N atoms in the ortho position of the triazine group. These dimers are linked into a tape motif through hydrogen bonds involving the amine N atoms in the para position. The ethanol and lamotrigine are present in a 1:1 ratio in the lattice with the ethyl group of the ethanol molecule exhibiting disorder with an occupancy ratio of 0.516 (14):0.484 (14).

scholarly journals Bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-κ2O,O′)bis(ethanol-κO)cobalt(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1107-m1108 ◽  
Author(s):  
Omoruyi G. Idemudia ◽  
Eric C. Hosten
Keyword(s):  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Negative Charge ◽  
Three Dimensional ◽  
Cobalt Complexes ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Ethanol Molecule ◽  
Three Dimensional Structure

The title compound, [Co(C17H13N2O2)2(C2H5OH)2], is a CoIIcomplex with two 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olate (BMPP) ligands and two coordinating ethanol molecules. In the asymmetric unit, there are two half molecules, with the CoIIatoms located on inversion centres. The two cobalt complexes have slightly different geometries and in one, the ethyl group of the ethanol is disordered over two sets of sites [occupancy ratio 0.757 (7):0.243 (7)]. Each BMPP ligand is deprotonated with the negative charge delocalized. The hydroxy group of each ethanol molecule forms hydrogen bonds with a pyrazole N atom in an adjacent BMPP ligand. Weaker C—H...O and C—H...N interactions link the molecules into a three-dimensional structure.

scholarly journals catena-Poly[[bis(ethanol-κO)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ4O1,O6:O3,O4]

2014 ◽  
Vol 70 (3) ◽  
pp. m90-m91
Author(s):  
Seiya Tanaka ◽  
Akiko Himegi ◽  
Tomomi Ohishi ◽  
Akira Fuyuhiro ◽  
Satoshi Kawata
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Linear Chain ◽  
Distorted Octahedron ◽  
Two Dimensional ◽  
Ethanol Molecule ◽  
Axis Direction ◽  
Bridging Ligand ◽  
Infinite Linear

In the title coordination polymer, [Mn(C6Cl2O4)(C2H5OH)2]n, the MnIIatom and the chloranilate [systematic name: 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)] ion lie on crystallographic inversion centers. The geometry around the MnIIatom is a distorted octahedron involving four O atoms of two chloranilate ions and two O atoms from two ethanol molecules. The chloranilate ion serves as a bridging ligand between the MnIIions, leading to an infinite linear chain along theb-axis direction. The chains are linked by O—H...O hydrogen bonds between the apically coordinating ethanol molecule and the chloranilate ion, affording a two-dimensional layer expanding parallel to theabplane.

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