4,4′-Bipyridyl–2-chloro-4-nitrobenzoic acid (1/2)

2007 ◽  
Vol 63 (11) ◽  
pp. o4500-o4500 ◽  
Author(s):  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title 1 ◽  
Nitrobenzoic Acid

In the crystal structure of the title 1:2 cocrystal, C10H8N2·2C7H4ClNO4, the two components are held together by short O—H...N hydrogen bonds. The pyridine rings of the bipyridyl molecule are twisted by 27.90 (5)° with respect to each other. The 1:2 units are connected by C—H...O hydrogen bonds, forming a centrosymmetric supramolecular ring.

scholarly journals Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid

2019 ◽  
Vol 75 (11) ◽  
pp. 1712-1718
Author(s):  
Keshab M. Bairagi ◽  
Priyanka Pal ◽  
Subhrajyoti Bhandary ◽  
Katharigatta N. Venugopala ◽  
Deepak Chopra ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Molecular Assembly ◽  
Asymmetric Unit ◽  
Title 1 ◽  
Π Interactions ◽  
Nitrobenzoic Acid

In the title 1:1 cocrystal, C7H4ClNO4·C6H6N2O, nicotinamide (NIC) and 2-chloro-5-nitrobenzoic acid (CNBA) cocrystallize with one molecule each of NIC and CNBA in the asymmetric unit. In this structure, CNBA and NIC form hydrogen bonds through O—H...N, N—H...O and C—H...O interactions along with N—H...O dimer hydrogen bonds of NIC. Further additional weak π–π interactions stabilize the molecular assembly of this cocrystal.

scholarly journals Crystal structure and Hirshfeld surface analysis of a copper(II) complex containing 2-nitrobenzoate and tetramethylethylenediamine ligands

2021 ◽  
Vol 77 (4) ◽  
pp. 412-415
Author(s):  
Sevgi Kansiz ◽  
Adnan M. Qadir ◽  
Necmi Dege ◽  
Li Yongxin ◽  
Eiad Saif
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Basic Solution ◽  
Two Dimensional ◽  
Nitrobenzoic Acid ◽  
Intermolecular Contacts ◽  
Additional Stabilization

The reaction of copper(II) sulfatepentahydrate with 2-nitrobenzoic acid and N,N,N′,N′-tetramethylethylenediamine (TMEDA) in basic solution produces the complex bis(2-nitrobenzoato-κO)(N,N,N′,N′-tetramethylethylenediamine-κ2 N,N′)copper(II), [Cu(C7H4NO4)2(C6H16N2)] or [Cu(2-nitrobenzoate)2(tmeda)]. Each carboxylate group of the 2-nitrobenzoate ligand is coordinated by CuII atom in a monodentate fashion and two TMEDA ligand nitrogen atoms are coordinate by the metal center, giving rise to a distorted square-planar coordination environment. In the crystal, metal complexes are linked by centrosymmetric C—H...O hydrogen bonds, forming ribbons via a R 2 2(10) ring motif. These ribbons are linked by further C—H...O hydrogen bonds, leading to two-dimensional hydrogen-bonded arrays parallel to the bc plane. Weak π–π stacking interactions provide additional stabilization of the crystal structure. Hirshfeld surface analysis, dnorm and two-dimensional fingerprint plots were examined to verify the contributions of the different intermolecular contacts within the supramolecular structure. The major interactions of the complex are O...H/H...O (44.9%), H...H (34%) and C...H (14.5%).

scholarly journals 4-Bromobenzoic acid–6-(4-bromophenyl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole (1/1)

2012 ◽  
Vol 68 (4) ◽  
pp. o1185-o1186
Author(s):  
Kamini Kapoor ◽  
Vivek K. Gupta ◽  
Satya Paul ◽  
Seema Sahi ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Maximum Deviation ◽  
Carboxyl Group ◽  
Stacking Interactions ◽  
Acid Molecule ◽  
Ring Plane ◽  
Title 1 ◽  
Benzene Ring Plane

In the title 1:1 co-crystal, C10H7BrN4S·C7H5BrO2, the triazolothiadiazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1)° with the bromophenyl ring. In the carboxylic acid molecule, the carboxyl group is rotated by 6.4 (3)° out of the benzene ring plane. The crystal structure features O—H...N and C—H...O hydrogen bonds, π–π stacking interactions [centroid–centroid distances = 3.713 (2), 3.670 (2) and 3.859 (3) Å] and short S...N [2.883 (4) Å] contacts.

scholarly journals Crystal structure of 4-aminobenzoic acid–4-methylpyridine (1/1)

2015 ◽  
Vol 71 (2) ◽  
pp. o125-o126 ◽  
Author(s):  
M. Krishna Kumar ◽  
P. Pandi ◽  
S. Sudhahar ◽  
G. Chakkaravarthi ◽  
R. Mohan Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Acid Group ◽  
Aminobenzoic Acid ◽  
Carboxylic Acid Group ◽  
Title 1 ◽  
Bond Forming

In the title 1:1 adduct, C6H7N·C7H7NO2, the carboxylic acid group is twisted at an angle of 4.32 (18)° with respect to the attached benzene ring. In the crystal, the carboxylic acid group is linked to the pyridine ring by an O—H...N hydrogen bond, forming a dimer. The dimers are linked by N—H...O hydrogen bonds, generating (010) sheets.

scholarly journals Crystal structure of a 1:1 salt of 4-aminobenzoic acid (vitamin B10) with pyrazinoic acid

2018 ◽  
Vol 74 (12) ◽  
pp. 1923-1927 ◽  
Author(s):  
K. V. Drozd ◽  
S. G. Arkhipov ◽  
E. V. Boldyreva ◽  
G. L. Perlovich
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Aminobenzoic Acid ◽  
X Ray Diffraction ◽  
Title 1 ◽  
X Ray ◽  
Pyrazinoic Acid ◽  
And Calorimetry

The title 1:1 salt, C7H8NO2+·C5H3N2O2−(systematic name: 4-carboxyanilinium pyrazine-2-carboxylate), was synthesized successfully by slow evaporation of a saturated solution from water–ethanol (1:1v/v) mixture and characterized by X-ray diffraction (SCXRD, PXRD) and calorimetry (DSC). The crystal structure of the salt was solved and refined at 150 and 293 K. The salt crystallizes with one molecule of 4-aminobenzoic acid (PABA) and one molecule of pyrazinoic acid (POA) in the asymmetric unit. In the crystal, the PABA and POA molecules are associated via COOH...Naromheterosynthons, which are connected by N—H...O hydrogen bonds, creating zigzag chains. The chains are further linked by N—H...O hydrogen bonds and π–π stacking interactions along thebaxis [centroid-to-centroid distances = 3.7377 (13) and 3.8034 (13) Å at 150 and 293 K, respectively] to form a layered three-dimensional structure.

scholarly journals Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)

2016 ◽  
Vol 72 (1) ◽  
pp. 53-55 ◽  
Author(s):  
Rajni M. Bhardwaj ◽  
Huaiyu Yang ◽  
Alastair J. Florence
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Layered Structure ◽  
Asymmetric Unit ◽  
Title 1 ◽  
Packing Interactions ◽  
Hydrogen Bonded

The title 1:1 co-crystal, C11H14O3·C6H6N2O [systematic name: butyl 4-hydroxybenzoate–isonicotinamide (1/1)], crystallizes with one molecule of butylparaben (BPN) and one molecule of isonicotinamide (ISN) in the asymmetric unit. In the crystal, BPN and ISN molecules form hydrogen-bonded (O—H...N and N—H...O) dimers of paired BPN and ISN molecules. These dimers are further connected to each otherviaN—H...O=C hydrogen bonds, creating ribbons in [011] which further stack along theaaxis to form a layered structure with short C...C contacts of 3.285 (3) Å. Packing interactions within the crystal structure were assessed using PIXEL calculations.

scholarly journals Crystal structure of (N,N′-ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)–3-[2-(3-nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione (1/1)

2019 ◽  
Vol 75 (6) ◽  
pp. 834-837
Author(s):  
Jan Marten ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title 1 ◽  
Axis Direction ◽  
Supramolecular Networks ◽  
Oxygen Atoms

In the title 1:1 co-crystal, [Cu(C24H24N8O6)]·C11H11N3O4, each of the crystal components forms undulating layers which stack alternately along the b-axis direction. Molecules of the CuII complex are connected via C—H...O hydrogen bonds involving the nitro and keto oxygen atoms, thus forming supramolecular networks. Molecules of the arylhydrazone component are linked by C—H...O interactions into zigzag strands showing no interstrand association.

scholarly journals Crystal structure of ebastinium 3,5-dinitrobenzoate

2017 ◽  
Vol 73 (10) ◽  
pp. 1513-1516 ◽  
Author(s):  
Mohammed A. E. Shaibah ◽  
Belakavadi K. Sagar ◽  
Hemmige S. Yathirajan ◽  
S. Madan Kumar ◽  
Christopher Glidewell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Methanol Solution ◽  
Piperidine Ring ◽  
Asymmetric Unit ◽  
Orientational Disorder ◽  
Title 1 ◽  
Axial Site

Ebastine, 4-(benzhydryloxy)-1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidine, reacts with 3,5-dinitrobenzoic acid in methanol solution to give the title 1:1 salt, ebastinium 3,5-dinitrobenzoate, C32H40NO2+·C7H3N2O6−. In the cation, the disubstituted aryl ring exhibits orientational disorder over two sets of atomic sites having occupancies 0.706 (4) and 0.294 (6), with a dihedral angle of 41.2 (5)° between the two orientations: the bulky Ph2CH—O– substituent occupies an axial site on the piperidine ring. The two ions in the selected asymmetric unit are linked by a nearly linear N—H...O hydrogen bond and this, in combination with two C—H...O hydrogen bonds, links the ions into complex sheets.

scholarly journals Pyridinium 3-nitrobenzoate–3-nitrobenzoic acid (1/1)

IUCrData ◽  
2021 ◽  
Vol 6 (6) ◽  
Author(s):  
Alexis Howarth ◽  
Tony J. Barbosa ◽  
Matthias Zeller ◽  
Patrick C. Hillesheim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Long Range ◽  
Molar Ratio ◽  
Acid Molecule ◽  
Neutralization Reaction ◽  
Pyridinium Cation ◽  
Nitrobenzoic Acid ◽  
Long Range Ordering

The crystal structure of the product of the neutralization reaction between 3-nitrobenzoic acid and pyridine is reported. The entities that crystallized are a pyridinium cation, a 3-nitrobenzoate anion and a 3-nitrobenzoic acid molecule in a 1:1:1 molar ratio, C5H6N+·C7H4NO4 −·C7H5NO4. Distinct sets of hydrogen bonds link the pyridinium and benzoate ions (N—H...O) and the acid and benzoate moieties (O—H...O). The hydrogen bonding along with π–π stacking between the acid and benzoate moieties accounts for the long-range ordering of the crystal.

A Crystallographic Study of Bis[S-benzyl-5-bromo-2-oxoindolin-3-ylidenemethanehydrazonthioate] Disulfide Solvated with Dimethylsulfoxide

2012 ◽  
Vol 9 (2) ◽  
pp. 87
Author(s):  
Mohd Abdul Fatah Abdul Manan ◽  
M. Ibrahim M. Tahir ◽  
Karen A. Crouse ◽  
Fiona N.-F. How ◽  
David J. Watkin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Unit Cell Parameters ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Cell Parameters ◽  
Crystallographic Study ◽  
Thiol Form

The crystal structure of the title compound has been determined. The compound crystallized in the triclinic space group P -1, Z = 2, V = 1839 .42( 18) A3 and unit cell parameters a= 11. 0460( 6) A, b = 13 .3180(7) A, c=13. 7321 (8) A, a = 80.659(3 )0, b = 69 .800(3 )0 and g = 77 .007 (2)0 with one disordered dimethylsulfoxide solvent molecule with the sulfur and oxygen atoms are distributed over two sites; S101/S102 [site occupancy factors: 0.6035/0.3965] and 0130/0131 [site occupancy factor 0.3965/0.6035]. The C22-S2 l and C 19-S20 bond distances of 1. 779(7) A and 1. 788(8) A indicate that both of the molecules are connected by the disulfide bond [S20-S21 2.055(2) A] in its thiol form. The crystal structure reveals that both of the 5-bromoisatin moieties are trans with respect to the [S21-S20 and CI 9-Nl 8] and [S20-S21 and C22-N23] bonds whereas the benzyl group from the dithiocarbazate are in the cis configuration with respect to [S21-S20 and C19-S44] and [S20-S21 and C22-S36] bonds. The crystal structure is further stabilized by intermolecular hydrogen bonds of N9-H35···O16 formed between the two molecules and N28-H281 ···O130, N28-H281 ···O131 and C4 l-H4 l l ···O 131 with the solvent molecule.

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