scholarly journals A Comprehensive Mini Review on Co-Crystallization Process

2021 ◽  
pp. 211-217
Author(s):  
Ananga Mohan Das ◽  
Ruhul Amin ◽  
Satyabrat Sarma ◽  
Biplab Kumar Dey ◽  
Faruk Alam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Crystal Chemistry ◽  
Crystallization Process ◽  
Active Pharmaceutical Ingredient ◽  
Performance Characteristics ◽  
Proper Understanding ◽  
Alternate Pathway

Co‑crystal chemistry has recently attracted supramolecular scientists. Co-crystals are comprising of hydrogen bonding assembly between different molecules. Many issues related to the performance characteristics of an active pharmaceutical ingredient (API) can be resolved using the co-crystallization approach. A proper understanding of the crystal structure of an API is required for the successful formation of co-crystals with the selected co‑former. Co-crystal chemistry has recently attracted scientists from the super molecules. Co crystals consist of the assembly of hydrogen bonds between various molecules. Many problems related to the performance characteristics of an active pharmaceutical ingredient (API) can be solved using the method of co-crystallization. Co-Crystals offer an alternate pathway where any API, paying little mind to be acidic, essential, or ionizable gatherings, might be co-gem. This aspect also helps to complement existing methods by reintroducing molecules with limited pharmaceutical profiles based on their non-ionizable functional groups.

scholarly journals Hydrogen bonding structure and polymorphism in agrochemicals

2014 ◽  
Vol 70 (a1) ◽  
pp. C540-C540
Author(s):  
Antonietta Di Pumpo ◽  
Mark Weller ◽  
Sax Mason ◽  
Marie-Hélène Lemée-Cailleau
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Atom ◽  
Hydrogen Bonds ◽  
Physical Properties ◽  
Crystallization Process ◽  
Spatial Arrangement ◽  
Crystal Habit ◽  
Bonding Structure ◽  
Significant Toxicity

Polymorphism of crystals, crystal habit and crystal growth are important factors that must be controlled for any commercial crystallization process. Pharmaceuticals and agrochemicals are two of the most industrially-important, active-molecule systems for which the physical properties are strongly correlated to their crystal structure. While pharmaceuticals have attracted more academic interest to date, the market for agrochemicals is also very considerable, amounting to $15 bn annually. Given the potential significant toxicity of some agrochemicals, the ability to control physical properties such as solubility and dissolution rates, which depend on the crystal structure of the agrochemical itself, represents a way of optimizing the ratio between the amount of product used and its efficiency, improving its function and reducing its environmental impact. Hydrogen bonds play a crucial role in the spatial arrangement of the active molecules and the crystallization process. However, high accuracy and precision of the hydrogen atom positions can only be achieved through single crystal neutron diffraction (SND). SND experiments have been performed on three herbicides - isoproturon (IPU), pendimethalin (PDM), and diflufenican (DFF) - and the fungicide cyprodinil (CYP) [1][2]. All four structure refinements show a ten-time improvement in precision in the hydrogen atom positions compared to SXD with accurately determined nuclear positions. For cyprodinil, which crystallises as two polymorphs, A and B, differences in the hydrogen bonding network have been determined. Form A is governed by single, linear hydrogen bonds between two molecules, while the B form is characterized by the presence of dimers linked through pairs of hydrogen bonds, leading to a stable 8-membered ring. These differences in structure are reflected in the physical properties of the two polymorphs such as melting point and the observed slow inter-conversion that takes place during storage.

scholarly journals Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Kostiantyn V. Domasevitch ◽  
Ganna A. Senchyk ◽  
Andrey B. Lysenko ◽  
Eduard B. Rusanov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Surface Analysis ◽  
Crystal Engineering ◽  
Hirshfeld Surface ◽  
Simple Scheme ◽  
The Individual ◽  
Hydrogen Bonded

The structure of the title salt, ammonium carbamoylcyanonitrosomethanide, NH4 +·C3H2N3O2 −, features the co-existence of different hydrogen-bonding patterns, which are specific to each of the three functional groups (nitroso, carbamoyl and cyano) of the methanide anion. The nitroso O-atoms accept as many as three N—H...O bonds from the ammonium cations [N...O = 2.688 (3)–3.000 (3) Å] to form chains of fused rhombs [(NH4)(O)2]. The most prominent bonds of the carbamoyl groups are mutual and they yield 21 helices [N...O = 2.903 (2) Å], whereas the cyano N-atoms accept hydrogen bonds from sterically less accessible carbamoyl H-atoms [N...N = 3.004 (3) Å]. Two weaker NH4 +...O=C bonds [N...O = 3.021 (2), 3.017 (2) Å] complete the hydrogen-bonded environment of the carbamoyl groups. A Hirshfeld surface analysis indicates that the most important interactions are overwhelmingly O...H/H...O and N...H/H...N, in total accounting for 64.1% of the contacts for the individual anions. The relatively simple scheme of these interactions allows the delineation of the supramolecular synthons, which may be applicable to crystal engineering of hydrogen-bonded solids containing polyfunctional methanide anions.

scholarly journals N′-Cyclododecylidenepyridine-4-carbohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1205-o1205
Author(s):  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Volker Kahlenberg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Title Compound ◽  
Antituberculosis Drug ◽  
Compound C

The title compound, C18H27N3O, is a derivative of the antituberculosis drug isoniazid (systematic name: pyridine-4-carbohydrazidei). The crystal structure consists of repeatingC(4) chains along thebaxis, formed by N—H...O hydrogen bonds with adjacent amide functional groups that are related by ab-glide plane. The cyclododecyl ring has the same approximately `square' conformation, as seen in the parent hydrocarbon cyclododecane.

2-Hydroxy-3-methoxybenzaldehyde (pyridinium-4-ylcarbonyl)hydrazone chloride hemihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o2043-o2044 ◽  
Author(s):  
Shao-Wen Chen ◽  
Han-Dong Yin ◽  
Da-Qi Wang ◽  
Xia Kong ◽  
Xiao-Fang Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C

The crystal structure of the title compound, C14H14ClN3O3 +·Cl−·0.5H2O, exhibits O—H...O, C—H...O, C—H...Cl, N—H...Cl and O—H...Cl hydrogen bonds. The chloride anions participate in extensive hydrogen bonding with the aminium cations and link molecules through multiple N—H+...Cl− interactions.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

scholarly journals Crystal structure of 2-hydroxy-2-phenylacetophenone oxime

2021 ◽  
Vol 77 (1) ◽  
pp. 66-69
Author(s):  
Nurcan Akduran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Oxime Group ◽  
Phenyl Rings ◽  
Ring Interaction ◽  
Van Der Waals Contacts

The title compound [systematic name: 2-(N-hydroxyimino)-1,2-diphenylethanol], C14H13NO2, consists of hydroxy phenylacetophenone and oxime units, in which the phenyl rings are oriented at a dihedral angle of 80.54 (7)°. In the crystal, intermolecular O—HOxm...NOxm, O—HHydr...OHydr, O—H′Hydr...OHydr and O—HOxm...OHydr hydrogen bonds link the molecules into infinite chains along the c-axis direction. π–π contacts between inversion-related of the phenyl ring adjacent to the oxime group have a centroid–centroid separation of 3.904 (3) Å and a weak C—H...π(ring) interaction is also observed. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (58.4%) and H...C/C...H (26.4%) contacts. Hydrogen bonding and van der Waals contacts are the dominant interactions in the crystal packing.

4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate

2006 ◽  
Vol 62 (4) ◽  
pp. o1295-o1297
Author(s):  
J. Suresh ◽  
V. P. Alex Raja ◽  
S. Natarajan ◽  
S. Perumal ◽  
A. Mostad ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ethyl Acetate ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Space Filler ◽  
Acetate Molecule

In the title compound, C30H24N2O·0.5C4H8O2, the piperidone ring adopts the chair conformation and all the phenyl rings are equatorially oriented. The ethyl acetate molecule is present as a space filler and does not participate in the hydrogen-bonding network. The crystal structure is stabilized through C—H...N and C—H...O hydrogen bonds. No significant C—H...π and π–π interactions are observed.

scholarly journals Crystal structure of chlorido(5,10,15,20-tetraphenylporphyrinato-κ4N)manganese(III) 2-aminopyridine disolvate

2015 ◽  
Vol 71 (2) ◽  
pp. 165-167 ◽  
Author(s):  
Wafa Harhouri ◽  
Salma Dhifaoui ◽  
Shabir Najmudin ◽  
Cecilia Bonifácio ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Axial Ligand ◽  
Pyramidal Geometry ◽  
Porphyrin Macrocycle ◽  
Planar Conformation ◽  
Solvent Molecules ◽  
Square Pyramidal Geometry

In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the MnIIIcentre is coordinated by four pyrrole N atoms [averaged Mn—N = 2.012 (4) Å] of the tetraphenylporphyrin molecule and one chloride axial ligand [Mn—Cl = 2.4315 (7) Å] in a square-pyramidal geometry. The porphyrin macrocycle exhibits a non-planar conformation with majorrufflingandsaddlingdistortions. In the crystal, two independent solvent molecules form dimers through N—H...N hydrogen bonding. In these dimers, one amino N atom has a short Mn...N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octahedron, and another amino atom generates weak N—H...Cl hydrogen bonds, which link further all molecules into chains along theaaxis.

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).

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