Crystal Structure of the 9-Anthracene–Carboxylic Acid Photochemical Dimer and Its Solvates by X-ray Diffraction and Raman Microscopy

2017 ◽  
Vol 17 (6) ◽  
pp. 3361-3370 ◽  
Author(s):  
Tommaso Salzillo ◽  
Elisabetta Venuti ◽  
Cristina Femoni ◽  
Raffaele Guido Della Valle ◽  
Riccardo Tarroni ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Raman Microscopy ◽  
X Ray Diffraction ◽  
X Ray

A MOF based on a lead(II) 2-oxido-6-methylpyridine-4-carboxylate network

2020 ◽  
Vol 75 (4) ◽  
pp. 365-369
Author(s):  
Long Tang ◽  
Yu Pei Fu ◽  
Na Cui ◽  
Ji Jiang Wang ◽  
Xiang Yang Hou ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Carboxylic Acid ◽  
Thermogravimetric Analysis ◽  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
X Ray ◽  
Connected Node ◽  
Metal Organic ◽  
Solid State Fluorescence

AbstractA new metal-organic framework, [Pb(hmpcaH)2]n (1), has been hydrothermally synthesized from Pb(OAc)2 · 3H2O and 2-hydroxy-6-methylpyridine-4-carboxylic acid (hmpcaH2; 2), and characterized by IR spectroscopy, elemental and thermogravimetric analysis, and single-crystal X-ray diffraction. In complex 1, each hmpcaH− ligand represents a three-connected node to combine with the hexacoordinated Pb(II) ions, generating a 3D binodal (3,6)-connected ant network. The crystal structure of 2 was determined. The solid-state fluorescence properties of 1 and 2 were investigated.

A New Supramolecular Synthon Using N-Methylaniline. The Crystal Structure of the 1 : 1 Adduct of N-Methylaniline with 5-Nitrofuran-2-carboxylic Acid

1998 ◽  
Vol 51 (9) ◽  
pp. 867 ◽  
Author(s):  
Daniel E. Lynch ◽  
Lisa C. Thomas ◽  
Graham Smith ◽  
Karl A. Byriel ◽  
Colin H. L. Kennard
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Proton Transfer ◽  
Single Crystal ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Supramolecular Synthon ◽  
X Ray ◽  
C 23 ◽  
A Cell

The crystal structure of the 1 : 1 adduct of N-methylaniline with 5-nitrofuran-2-carboxylic acid has been determined by single-crystal X-ray diffraction. Crystals are monoclinic, space group P21/c with Z 4 in a cell of dimensions a 8·467(5), b 6·106(2), c 23·95(1) Å, β 94·48(3)°. The molecules associate in a tetrameric, proton-transfer formation which has potential as a new supramolecular synthon.

The Crystal Structure of Acifluorfen {5-[2-Chloro-4-(trifluoromethyl)-phenoxy]-2-nitrobenzoic Acid}

1987 ◽  
Vol 40 (6) ◽  
pp. 1131 ◽  
Author(s):  
CHL Kennard ◽  
G Smith ◽  
T Hari
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Phenyl Ring ◽  
Acid Group ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Carboxylic Acid Group ◽  
X Ray ◽  
Nitrobenzoic Acid ◽  
Cell Dimensions

The crystal structure of the herbicide acifluorfen (5-[(2-chloro-4-trifluoromethyl)]phenoxy-2- nitrobenzoic acid] has been determined by X-ray diffraction and refined to a residual of 0.051for 1124 observed reflections. Crystals are monoclinic, space group C2/c with cell dimensions a 26.848(7), b 8 .O29(2), c 19 .Ol4(6) �, ,R l34.72(2)� and Z 8. The molecules form centrosymmetric hydrogen-bonded cyclic dimers [O---0, 2.637(7) �] with the carboxylic acid group and the phenoxy group synclinally related to the first phenyl ring while the nitro substituent isessentially coplanar with the ring.

Designing Linear Hydrogen-Bonded Arrays by Using Substituted Charge-Transfer Complexes. The Crystal Structure of the 1 : 1 Adduct of Indole-2-carboxylic Acid with 3,5-Dinitrobenzoic Acid

1998 ◽  
Vol 51 (11) ◽  
pp. 1019 ◽  
Author(s):  
Daniel E. Lynch ◽  
Graham Smith ◽  
Karl A. Byriel ◽  
Colin H. L. Kennard
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Second Harmonic ◽  
Charge Transfer Complexes ◽  
Benzoic Acids ◽  
X Ray Diffraction ◽  
X Ray ◽  
Linear Optical Properties ◽  
Substituted Benzoic Acids ◽  
Indole 3 Acetic Acid

Five adducts consisting of carboxylic acid-substituted indoles with nitro-substituted benzoic acids have been synthesized and tested for second-order non-linear optical properties. These were indole-2-carboxylic acid with 2,4-dinitrobenzoic acid (1), 3,5-dinitrobenzoic acid (2), and 2,4,6-trinitrobenzoic acid (3), and indole-3-acetic acid with 3,5-dinitrobenzoic acid (4), and 2,4,6-trinitrobenzoic acid (5). Compound (2) produced clear, yellow crystals (space group P -1 with a 6·8400(7), b 15·150(2), c 16·097(2) Å, α 84·911(9), β 87·088(10), γ 77·865(9)°, Z 4) which allowed the structure to be determined by X-ray diffraction. Of the five adducts, compounds (3) and (5) gave second harmonic intensities of 0·15 and 0·16 times respectively that of a urea standard.

scholarly journals Crystal structures of two alanylpiperidine analogues

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Kalina Mambourg ◽  
Nikolay Tumanov ◽  
Gilles Henon ◽  
Steve Lanners ◽  
Javier Garcia-Ladona ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Risk Assessment ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Strong Hydrogen Bond ◽  
Carboxylic Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Crystal Packings

The structure of ethyl 1-[N-(4-methylphenyl)-N-(methylsulfonyl)alanyl]piperidine-4-carboxylate, C19H28N2O5S, I, a compound of interest as activator of Ubiquitin C-terminal Hydrolase-L1 (UCH-L1), was determined by single-crystal X-ray diffraction (SCXRD) analysis. In order to find new activators, a derivative of compound I, namely, 1-[N-(4-methylphenyl)-N-(methylsulfonyl)alanyl]piperidine-4-carboxylic acid, C17H24N2O5S, II, was studied. The synthesis and crystal structure are also reported. Despite being analogues, different crystal packings are observed. Compound II bears a carboxylic group, which favors a strong hydrogen bond. A polymorph risk assessment was carried out to study interactions in compound II.

Dibenzo[b,e][1,4]diazepin-1-ones and their Ring-Opened Derivatives: Revisited Synthesis, 2D NMR and Crystal Structure

Synlett ◽  
2017 ◽  
Vol 28 (17) ◽  
pp. 2247-2252 ◽  
Author(s):  
Norah Bennamane ◽  
Oualid Talhi ◽  
Artur Silva ◽  
Brahim Cherfaoui ◽  
Houria Lakhdari ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Single Crystal ◽  
Ring Opening ◽  
Oxalyl Chloride ◽  
2D Nmr ◽  
Positional Isomers ◽  
X Ray Diffraction ◽  
X Ray ◽  
Catalyst Free

The synthesis of 2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-ones was revisited and a catalyst-free method was established, by exploring the reactivity of 3-[(2-aminoaryl)amino]dimedones towards carbonylated electrophiles. 2D NMR and single-crystal X-ray diffraction studies were used to characterize the structures unequivocally and to review the mechanism leading to the formation of supposed positional isomers. The action of 3-[(2-aminoaryl)amino]dimedones on chromene-3-carboxylic acid, fumaryl, and oxalyl chloride has led to dibenzo[b,e][1,4]diazepin-1-one ring opening to produce novel Z-configured enaminone and linear diamides.

Crystal structure of 9-Oxofluorene-4-carboxylic acid

1981 ◽  
Vol 34 (5) ◽  
pp. 1143 ◽  
Author(s):  
CHL Kennard ◽  
G Smith ◽  
GF Katekar
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
A Cell

The crystal structure of 9-oxofluorene-4-carboxylic acid has been determined by direct methods using three-dimensional X-ray diffraction data, and refined to R0·068 for 1323 'observed' reflections. Crystals are monoclinic, space group P21/c with 24 in a cell of dimensions a 3·843(3), b 7·986(5), c 3269(2) �, β 96·64(4)�. The molecules form centrosymmetric hydrogen-bonded cyclic dimers [O···O 2·642(3) �] with the plane of the carboxylic acid making an angle of 26·5� with that of the 9-oxofluorene group. Stacks of molecules form down the a axis with 3.843 �. separation.

The crystal and molecular structure of (±)-('E')-N-Acetylpiperidine-2-carboxylic acid

1980 ◽  
Vol 33 (1) ◽  
pp. 215 ◽  
Author(s):  
ID Rae ◽  
CL Raston ◽  
AH White
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Carboxylic Acid ◽  
Single Crystal ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structure of N-acetylpiperidine-2-carboxylic acid has been determined by single-crystal X-ray diffraction methods at 295(1) K and refined by least squares to a residual of 0.039 for 846 'observed' reflections. Crystals are orthorhombic, with space group Pbca, a 13.684(6), b 11.602(4), c 11.171(4)Ǻ, Z 8. The ring is a chair structure in which, contrary to an earlier proposal based on 1H n.m.r. studies, there is almost perfect staggering about the C(2)-C(3) bond.

Molecular Cocrystals of Carboxylic Acids.II. The Crystal Structure of the 1 : 2 Adduct of Phenoxyacetic Acid With 3,5-Dinitrobenzoic Acid

1991 ◽  
Vol 44 (7) ◽  
pp. 1017 ◽  
Author(s):  
DE Lynch ◽  
G Smith ◽  
KA Byriel ◽  
CHL Kennard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Water Molecules ◽  
Phenoxyacetic Acid ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Molecular Adduct ◽  
A Cell

The 1 : 2 molecular adduct between phenoxyacetic acid and 3,5-dinitrobenzoic acid, with formula [(C6H5OCH2COOH)2{3,5-(NO2)2C6H3COOH}4(H2O)2], has been prepared and its structure determined by X-ray diffraction. Crystals are triclinic, space group Pī with two complex units in a cell with dimensions a 7.202(2), b 18.519(5), c 20.924(6)Ǻ, α 66.33(3),β 86.04(2),γ 89.32(2)°. The molecular repeating unit comprises two phenoxyacetic acid molecules [forming hydrogen-bonded cyclic dimers (O̷O, 2.71, 2.74 Ǻ)], four 3,5- dinitrobenzoic acid molecules [giving two unusual one-bond hydrogen bonds (O…O, 2.59, 2.64Ǻ)] and two water molecules. The waters are intimately involved in a hydrogen-bonding network with carboxylic acid oxygens.

scholarly journals Synthesis and crystal structure of Cu(II) and Co(II) complexes with 1,3-dimethyl-pyrazole-5-carboxylic acid ligand

2015 ◽  
Vol 80 (7) ◽  
pp. 867-875 ◽  
Author(s):  
Zeljko Jacimovic ◽  
Milica Kosovic ◽  
Sladjana Novakovic ◽  
Gerald Giester ◽  
Ana Radovic
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Acid Ligand ◽  
Square Planar ◽  
Monodentate Coordination ◽  
Carboxylic Acid Ligand

In the reaction of 1,3-dimethyl-pyrazole-5-carboxylic acid (HL) with M(OAc)2?4H2O, (M = Cu, Co) two novel complexes have been prepared, square-planar [CuL2(H2O)2] and octahedral [CoL2(MeOH)4]. The crystal structures have been determined by single-crystal X-ray diffraction. In both complexes the deprotonated acid displays monodentate coordination to the metal ions. According to the results of CSD survey this is the first structural report on the metal complexes with N1-substituted pyrazole-5-carboxylic ligand.

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