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 ofN,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate

2016 ◽  
Vol 72 (10) ◽  
pp. 1503-1508
Author(s):  
Miguel Ángel Claudio-Catalán ◽  
Felipe Medrano ◽  
Hugo Tlahuext ◽  
Carolina Godoy-Alcántar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Ring Centroid ◽  
Supramolecular Chains

The asymmetric unit of the title compound, C56H50N6O8S2·3C6H4Cl2, contains two half-molecules of the parent,AandB, which both have crystallographic inversion symmetry, together with three 2,3-dichlorobenzene molecules of solvation. MoleculesAandBare conformationally similar, with dihedral angles between the central naphthalenediimide ring and the peripheral naphthalene and benzyl rings of 2.43 (7), 81.87 (7)° (A) and 3.95 (7), 84.88 (7)° (B), respectively. The conformations are stabilized by the presence of intramolecular π–π interactions between the naphthalene ring and the six-membered diimide ring of the central naphthalenediimide moiety, with ring centroid-to-centroid distances of 3.5795 (8) Å (A) and 3.5640 (8) Å (B). In the crystal, C—H...O hydrogen bonds link the molecules into infinite supramolecular chains along thecaxis. These chains are interconnected through C—H...π and offset π–π interactions, generating supramolecular nanotubes which are filled by 1,2-dichlorobenzene molecules.

scholarly journals Crystal structure ofN-(quinolin-6-yl)hydroxylamine

2014 ◽  
Vol 70 (11) ◽  
pp. 322-324 ◽  
Author(s):  
Anuruddha Rajapakse ◽  
Roman Hillebrand ◽  
Sarah M. Lewis ◽  
Zachary D. Parsons ◽  
Charles L. Barnes ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
A Minor

The title compound, C9H8N2O, crystallized with four independent molecules in the asymmetric unit. The four molecules are linkedviaone O—H...N and two N—H...N hydrogen bonds, forming a tetramer-like unit. In the crystal, molecules are further linked by O—H...N and N—H...O hydrogen bonds forming layers parallel to (001). These layers are linkedviaC—H...O hydrogen bonds and a number of weak C—H...π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a minor twin component of 0.319.

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.

A one-dimensional ZnIIcoordination polymer: poly[dichlorido(μ2-1,4-phenylenediacetato-κ2O:O′)bis{μ2-1,3-bis[(1H-1,2,4-triazol-1-yl)methyl]benzene-κ2N3:N3′}dizinc(II)]

2014 ◽  
Vol 70 (11) ◽  
pp. 1033-1035 ◽  
Author(s):  
Xiao-Juan Xu
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Π Interactions ◽  
Acid Ligand ◽  
Title One ◽  
Methyl Benzene

In the title one-dimensional ZnIIcoordination polymer, [Zn(C10H8O4)0.5Cl(C12H12N6)]n, the asymmetric unit consists of a ZnIIcation, a 1,3-bis[(1H-1,2,4-triazol-1-yl)methyl]benzene ligand and half of a fully deprotonated centrosymmetric 1,4-phenylenediacetic acid ligand. The crystal structure shows a one-dimensional rotaxane-like structure. This coordination polymer is reinforced by C—H...O and C—H...Cl hydrogen bonds and π–π interactions.

scholarly journals Benzene-1,2-diaminium bis(hydrogen phosphonate)

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Md. Zahid ◽  
R. Akilan ◽  
T. Ganesh ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Molecular Salt ◽  
Ring Motif

The asymmetric unit of the title molecular salt, C6H10N2 2+·2H2PO3 −, contains half of a benzene-1,2-diaminium cation and a phosphite anion, the complete cation being generated by a crystallographic mirror plane. In the crystal, N—H...O hydrogen bonds generate R 2 2(9) and R 2 2(8) ring motifs and O—H...O hydrogen bonds generate an R 2 2(8) ring motif. Overall, these generate a three-dimensional framework. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.8642 (7) Å].

scholarly journals Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one

2015 ◽  
Vol 71 (2) ◽  
pp. o123-o124 ◽  
Author(s):  
Preetika Sharma ◽  
K. N. Subbulakshmi ◽  
B. Narayana ◽  
K. Byrappa ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
The Individual

The asymmetric unit of the title compound, C9H7NO2S, contains two crystallographically independent molecules (AandB). Both molecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thiophene rings being inclined to one another by 2.65 (16)° in moleculeAand by 4.55 (15)° in moleculeB. In the crystal, the individual molecules are linkedviaC—H...O hydrogen bonds, forming –A–B–A–B– chains along the [10-1] direction. The chains are linkedviaC—H...π and π–π interactions [intercentroid distances = 3.767 (2) and 3.867 (2) Å] involving inversion-related oxazole and thiophene rings in both molecules, forming a three-dimensional structure.

scholarly journals Crystal structure of cis-[1,2-bis(diphenylphosphanyl)ethene-κ2 P,P′]dichloridoplatinum(II) chloroform disolvate: a new polymorph

2018 ◽  
Vol 74 (7) ◽  
pp. 998-1001
Author(s):  
Jimmy Mugemana ◽  
John Bender ◽  
Richard J. Staples ◽  
Shannon M. Biros
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Complex Molecule ◽  
Bidentate Ligand ◽  
Asymmetric Unit ◽  
Compound I ◽  
Π Interactions ◽  
The Third ◽  
Square Planar ◽  
Cl Atoms

The title compound, [PtCl2(C26H22P2)]·2CHCl3 (I), is the third monoclinic polymorph of this platinum(II) complex involving the bidentate ligand cis-1,2-bis(diphenylphosphanyl)ethylene (cis-dppe) [for the others, see: Oberhauser et al. (1998a). Inorg. Chim. Acta, 274, 143–154, and Oberhauser et al. (1995). Inorg. Chim. Acta, 238, 35–43]. The structure of compound (I) was solved in the space group P21/c, with one complex molecule in the asymmetric unit along with two solvate chloroform molecules. The PtII atom is ligated by two P and two Cl atoms in the equatorial plane and has a perfect square-planar coordination sphere. In the crystal, the complex molecule is linked to the chloroform solvate molecules by C—H...Cl hydrogen bonds and face-on C—Cl...π interactions. There are also weak offset π–π interactions present [intercentroid distances are 3.770 (6) and 4.096 (6) Å], linking the molecules to form supramolecular sheets that lie in the bc plane.

scholarly journals Crystal structure of 1-(2,4-dimethylphenyl)-2-(4-trimethylsilyl-1H-1,2,3-triazol-1-yl)ethanone

2014 ◽  
Vol 70 (12) ◽  
pp. o1253-o1253
Author(s):  
G. B. Venkatesh ◽  
H. Nagarajaiah ◽  
N. L. Prasad ◽  
S. HariPrasad ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C

The asymmetric unit of the title compound, C15H21N3OSi, contains two molecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163 Å). The dihedral angles between the planes of the 1,2,3-triazole and 2,4-dimethylbenzene rings are 27.0 (3) and 19.5 (3)°. In the crystal, molecules are linked by very weak C—H...O and C—H...N hydrogen bonds to generate [100] chains. The chains are cross-linked by C—H...π interactions.

scholarly journals Crystal structure of 1′-ethylspiro[chroman-4,4′-imidazolidine]-2′,5′-dione: a hydantoine derivative

2015 ◽  
Vol 71 (10) ◽  
pp. o705-o706
Author(s):  
S. B. Benaka Prasad ◽  
S. Naveen ◽  
M. Madaiah ◽  
N. K. Lokanath ◽  
Ismail Warad ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
The Individual

The title compound, C13H13N2O3, a hydantoin derivative, crystallized with two molecules (AandB) in an asymmetric unit. In moleculeA, the imidazolidine ring is twisted about the C—N bond involving the spiro C atom, while in moleculeBthis ring is flat (r.m.s. deviation = 0.010 Å). The pyran rings in both molecules have distorted half-chair conformations. The mean plane of the imidazolidine ring is inclined to the aromatic ring of the chroman unit by 79.71 (11)° in moleculeAand 82.83 (12)° in moleculeB. In the crystal, pairs of N—H...O hydrogen bonds link the individual molecules to formA–AandB–Binversion dimers. The dimers are linkedviaN—H...O and C—H...O hydrogen bonds, forming sheets lying parallel to thebcplane,viz.(011). Within the sheets, theAandBmolecules are linked by C—H...π interactions.

scholarly journals Crystal structure of cyproconazole

2015 ◽  
Vol 71 (12) ◽  
pp. o1007-o1007
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Eunjin Kwon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions

The title compound [systematic name: 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol], C15H18ClN3O, is a conazole fungicide. The asymmetric unit comprises two enantiomeric pairs (moleculesAandB) in which the dihedral angles between the chlorophenyl and triazole rings are 46.54 (9) (moleculeA) and 67.03 (8)° (moleculeB). In the crystal, C—H...O, O—H...N and C—H...Cl hydrogen bonds and weak C—H...π interactions [3.473 (2) Å] link adjacent molecules, forming columns along theaaxis.

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