Molecules,
Journal Year:
2023,
Volume and Issue:
28(19), P. 6965 - 6965
Published: Oct. 7, 2023
3-chloro-4-hydroxyphenylacetic
acid
(CHPAA)
is
a
fungal
metabolite.
It
small
molecule
that
useful
in
crystal
engineering
studies
due
to
the
functional
groups
present.
Six
amines
were
selected
form
salts
with
CHPAA.
Linear
derivatives
included
diethylamine
(DEA)
and
di-N-butylamine
(DBM).
The
aromatic
compounds
chosen
2-aminopyridine
(A2MP),
2-amino-4-methylpyridine
(A24MP),
2-amino-6-methylpyridine
(A26MP)
4-dimethylaminopyridine
(DMAP).
characterised
using
single-crystal
X-ray
diffraction,
thermal
analysis,
FTIR
spectroscopy
Hirshfeld
surface
analysis.
For
all
structures,
N-H···O
C-H···Cl
contacts
O-H···O
found
structures
except
for
(CHPAA2-)2DEA+,
which
was
also
only
structure
displayed
Cl···Cl
contact.
Furthermore,
C-H···O
(CHPAA-)(DBM+).
stability
trend
showed
DBM
salt
more
stable
than
DEA
salt.
co-formers,
following:
CHPAA-(DMAP+)
>
(CHPAA-)(A2MP+)>2CHPAA-2A26MP+>(CHPAA-)(A24MP+).
Crystal Growth & Design,
Journal Year:
2024,
Volume and Issue:
24(4), P. 1746 - 1765
Published: Feb. 9, 2024
Controlling
the
supramolecular
synthon
outcome
in
systems
with
different
functionalities
has
been
a
key
factor
for
design
of
materials,
which
also
affected
their
physicochemical
properties.
In
this
contribution,
we
have
analyzed
structural
landscape
α-acetamidocinnamic
acid
(HACA)
aiming
to
find
its
from
competitivity
between
acidic
and
amidic
groups.
We
prepared
four
multicomponent
forms
including
one
dihydrate
(HACA·2H2O)
three
cocrystals
bearing
bipyridine
coformers
formulas
(HACA)2(1,2-bpe)
(1),
(HACA)2(4,4′-azpy)
(2),
(HACA)2(4,4′-bipy)3
(3)
(1,2-bpe
=
1,2-bis(4-pyridyl)ethylene;
4,4′-azpy
4,4′-azopyridine;
4,4′-bipy
4,4′-bipyridine).
First,
applied
virtual
screening
approach
assess
feasibility
cocrystal
formation.
Then,
synthesized
cocrystals,
via
liquid-assisted
grinding
(LAG)
(1
2)
or
solvothermal
techniques,
single
crystals
HACA,
were
obtained
showing
synthons
crystal
packings.
Besides,
Cambridge
Structural
Database
(CSD)
search
presenting
bipyridine-type
molecules
amide
was
performed,
observed
occurrences
as
well
possibility
modification
by
tuning
H-donor/H-acceptor
propensity
groups
shown.
Finally,
measured
thermal
photophysical
properties,
correlated
features.
Chemical Science,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 1, 2025
A
high-throughput
nanoscale
co-crystallisation
approach
is
presented,
that
combines
automation
and
small
scale
to
enable
the
exploration
of
conditions,
resulting
in
30
new
binary,
ternary
quaternary
co-crystals.
