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.

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.

Molecular Cocrystals of Carboxylic Acids. XXVI Adducts of the Amino-Substituted Benzoic Acids with Nitroaromatic Lewis Bases: the Influence of Associative Polyfunctional Substituents on Self-Assembly of Molecules in Cocrystallization Processes

1997 ◽  
Vol 50 (10) ◽  
pp. 977 ◽  
Author(s):  
Daniel E. Lynch ◽  
Graham Smith ◽  
Karl A. Byriel ◽  
Colin H. L. Kennard
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Self Assembly ◽  
Benzoic Acids ◽  
Aminobenzoic Acid ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lewis Bases ◽  
Aminobenzoic Acids ◽  
Substituted Benzoic Acids

A series of molecular adducts of the isomeric aminobenzoic acids with the nitro-substituted Lewis bases 2-chloro-5-nitropyridine, 5-nitroquinoline and 5-nitroisoquinoline has been prepared and characterized by using infrared spectroscopy and X-ray powder diffraction, and in four cases by single-crystal X-ray diffraction methods. These four compounds are the adducts of 3-aminobenzoic acid with 5-nitroquinoline [(C7H7NO2)(C9H6N2O2)], 4-aminobenzoic acid with 5-nitroquinoline [(C7H7NO2)2(C9H6N2O2)], 2-aminobenzoic acid with 5-nitroisoquinoline [(C7H7NO2)(C9H6N2O2)] and 4-aminobenzoic acid with 5-nitroisoquinoline [(C7H7N2O2)(C9H6N2O2)]. Other compounds described are the (1 : 1) adducts of 4-aminobenzoic acid with 2-chloro-5-nitropyridine, and 2-aminobenzoic acid with 5-nitroquinoline. All adducts involve hydrogen-bonding network associations while in none of the examples is any proton transfer involved.

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.

Molecular Cocrystals of Carboxylic Acids. XIII. Spectral Characterization of the Adducts of Triphenylphosphine Oxide With Substituted Benzoic Acids and the Crystal Structures of the 1 : 1 Adducts With 2,4,6-Trinitrobenzoic Acid and 3,5-Dinitrobenzoic Acid

1993 ◽  
Vol 46 (10) ◽  
pp. 1535 ◽  
Author(s):  
DE Lynch ◽  
G Smith ◽  
NJ Calos ◽  
CHL Kennard ◽  
AK Whittaker ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Triphenylphosphine Oxide ◽  
Benzoic Acids ◽  
X Ray Diffraction ◽  
X Ray ◽  
Acid Proton ◽  
Phosphoryl Oxygen ◽  
Substituted Benzoic Acids ◽  
Convenient Technique

The 1:1 adducts of triphenylphosphine oxide with the 2-, 3- and 4-nitro-, 3,5-dinitro-, and 2,4,6-trinitro-substituted benzoic acids have been prepared, and characterized by infrared and 31P n.m.r. spectroscopy. The crystal structures of two of these adducts, (triphenylphosphine oxide-3,5-dinitrobenzoic acid) and ( triphenylphosphine oxide-2,4,6-trinitrobenzoic acid), have been determined by X-ray diffraction. In all examples, the presence of single directed hydrogen bonds between the phosphoryl oxygen and the carboxylic acid proton is confirmed. For the X-ray structures, the O…O distances are 2.54(4) and 2.55(1)Ǻ respectively. Solid-state 31P n.m.r. spectroscopy has also proved a convenient technique for the detection of the presence of a single conformational adduct type in cocrystals.

scholarly journals Crystal Structure of L-Histidinium 2-Nitrobenzoate

2012 ◽  
Vol 2012 ◽  
pp. 1-6 ◽  
Author(s):  
Subramanian Natarajan ◽  
Kalimuthu Moovendaran ◽  
Jeyaperumal Kalyana Sundar ◽  
Krishnan Ravikumar
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Potassium Dihydrogen Phosphate ◽  
Dihydrogen Phosphate ◽  
X Ray Diffraction ◽  
Potassium Dihydrogen ◽  
X Ray ◽  
Shg Efficiency

A new nonlinear optical organic compound, namely, L-histidinium 2-nitrobenzoate (abbreviated as LH2NB (I); ([C6H10N3O2]+ [C7H4NO4]−)), was synthesized. The molecular structure of LH2NB (I) was elucidated using single crystal X-ray diffraction technique. The second harmonic generation (SHG) efficiency of this compound is about two times that of the standard potassium dihydrogen phosphate crystals.

Molecular Cocrystals of Carboxylic Acids. XXXIII The Crystal Structure of the 1 : 1 Adduct of Indole-2-carboxylic Acid with 5-Nitroquinoline

1998 ◽  
Vol 51 (9) ◽  
pp. 813 ◽  
Author(s):  
Daniel E. Lynch ◽  
Niraj Mistry ◽  
Graham Smith ◽  
Karl A. Byriel ◽  
Colin H. L. Kennard
Keyword(s):  
Carboxylic Acid ◽  
Optical Signal ◽  
Optical Quality ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Non Linear ◽  
Linear Optical ◽  
Optical Applications ◽  
Indole 3 Acetic Acid

The molecular adducts of indole-3-acetic acid (iaa) and indole-2-carboxylic acid (ica) with 5-nitroquinoline (nq), [(iaa)(nq)2] (1) and [(ica)(nq)] (2), have been prepared and characterized by X-ray diffraction and spectroscopic methods. Both examples involve charge transfer as well as a network of hydrogen-bonding interactions. Thin films of compound (2), and other similar adduct complexes of ica, can be prepared by thermal evaporation techniques and in this form exhibit a weak second-order non-linear optical signal. However, these films display poor optical quality and, without improvement, are not suitable for any potential non-linear optical applications.

Crystal structure of 8-Hydroxy-1H-naphtho[2,1,8-mna]xanthen-1-one

1984 ◽  
Vol 37 (8) ◽  
pp. 1763
Author(s):  
IR Castleden ◽  
LM Engelhardt ◽  
SR Hall ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Single Crystal ◽  
Least Squares ◽  
Interplanar Spacing ◽  
Charge Transfer Complexes ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray

The crystal structure of 8-hydroxy-1H-naphtho[2,1,8-mna]xanthen-1-one, C19H10O3, obtained as an indefinite methanolsolvate, has been determined at 295K by single-crystal X-ray diffraction methods, being refined by full matrix least squares to a residual of 0.056 for 892 independent 'observed' reflections. Crystals are monoclinic, P21/c, a 5.128(4), b 10.024(9), c 27.45(2) �, β 107.73(6)�, Z 4. The packing of the molecules is typically that of charge-transfer complexes, with an interplanar spacing of c.3.5 �.

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

Synthesis, crystal structure, and magnetic properties of a multicage compound: [(Me)2EtNH][Mn(N3)3] with a perovskite-related structure

2019 ◽  
Vol 74 (4) ◽  
pp. 335-339 ◽  
Author(s):  
Jie Yang ◽  
Yuan Huang ◽  
Ting Fang ◽  
Kun Qian ◽  
Wen-Bin Chen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Magnetic Measurements ◽  
Second Harmonic ◽  
Three Dimensional ◽  
Related Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Polar Crystal

AbstractA new multicage compound [(Me)2EtNH][Mn(N3)3] (Me = methyl, Et = ethyl) with a perovskite-related structure has been synthesized. The manganese(II) cations are bridged by end-to-end (EE) azide anions to form three-dimensional cages with the N,N-dimethylethylammonium cations residing in the cavities of the [Mn(N3)3]nn− cages. The compound has been characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis, second-harmonic generation, and magnetic measurements. The second-harmonic generation results support its noncentrosymmetric polar crystal structure. Magnetic susceptibility measurements show antiferromagnetic interactions among the MnII ions.

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