(4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-κS)zinc(II)

2013 ◽  
Vol 69 (4) ◽  
pp. 384-387
Author(s):  
Wei-Wei Fu ◽  
Man-Sheng Chen ◽  
Yang Liu ◽  
Fu-Xing Zhang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Organic Cation ◽  
Packing Structure ◽  
Dimeric Unit ◽  
Compound C ◽  
Anion Form ◽  
Chloride Ligand ◽  
Chloride Ligands

The title compound, (C6H9N2S)[ZnCl3{SC(NH2)2}], exists as a zincate where the zinc(II) centre is coordinated by three chloride ligands and a thiourea ligand to form the anion. The organic cation adopts the protonated 4,6-dimethyl-2-sulfanylidenepyrimidin-1-ium (L) form of 4,6-dimethylpyrimidine-2(1H)-thione. Two short N—H...Cl hydrogen bonds involving the pyrimidine H atoms and the [ZnCl3L]−anion form a crystallographically centrosymmetric dimeric unit consisting of two anions and two cations. The packing structure is completed by longer-range hydrogen bonds donated by the thiourea NH2groups to chloride ligand hydrogen-bond acceptors.

scholarly journals Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)

2014 ◽  
Vol 70 (6) ◽  
pp. m220-m221 ◽  
Author(s):  
Modou Sarr ◽  
Carina Merkens ◽  
Aminata Diassé-Sarr ◽  
Libasse Diop ◽  
Ulli Englert
Keyword(s):  
Hydrogen Bonds ◽  
Layered Structure ◽  
Title Compound ◽  
Complex Anion ◽  
Rotation Axis ◽  
Compound C ◽  
Distorted Octahedral ◽  
Chloride Ligand ◽  
Chloride Ligands ◽  
Octahedral Configuration

The title compound, (C6H14N)2[Sn(C6H5)2Cl4], contains cyclohexylammonium cations in general positions and a stannate(IV) anion that is located on a twofold rotation axis. The SnIVatom in the complex anion is surrounded by four Cl−ligands and twotrans-phenyl groups in a distorted octahedral configuration. The anions are connected with the cations through N—H...Cl hydrogen bonds. Every cation is involved in three N—H...Cl bonds to the chloride ligands of three different anions, and each chloride ligand is linked to two cations. This arrangement leads to a layered structure parallel to (010).

6,9-Dibromo-2a,10b-diphenyl-2a,5,10,10b-tetrahydro-2H,3H-2,3,4a,10a-tetraazabenzo[g]cyclopenta[cd]azulene-1,4-dione monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1754-o1755
Author(s):  
Neng-Fang She ◽  
Sheng-Li Hu ◽  
Hui-Zhen Guo ◽  
An-Xin Wu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Compound C ◽  
Bifurcated Hydrogen Bond

The title compound, C24H18Br2N4O2·H2O, forms a supramolecular structure via N—H...O, O—H...O and C—H...O hydrogen bonds. In the crystal structure, the water molecule serves as a bifurcated hydrogen-bond acceptor and as a hydrogen-bond donor.

scholarly journals 14,15-Didehydrohellebrigenin

2012 ◽  
Vol 68 (6) ◽  
pp. o1614-o1615
Author(s):  
Tong Yu ◽  
Hai-Yan Tian ◽  
Xiao-Feng Yuan ◽  
Shu-Zhi Hu ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Lactone Ring ◽  
Three Dimensional ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C24H30O5, is the didehydro product of the steroid hellebrigenin (systematic name: 3β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide). It consists of three cyclohexane rings (A, B and C), a five-membered ring (D) and a six-membered lactone ring (E). The stereochemistry of the ring junctions are A/B cis, B/C trans and C/D cis. Cyclohexane rings A, B and C have normal chair conformations. The five-membered ring D with the C=C bond adopts an envelope conformation. Lactone ring E is essentially planar with a mean derivation of 0.006 (4) Å and is β-oriented at the C atom of ring D to which it is attached. There is an O—H...O hydrogen bond in the molecule involving the hydroxy groups. In the crystal, O—H...O hydrogen bonds link the molecules into chains propagating along [010]. The chains are linked by C—H...O contacts into a three-dimensional network.

scholarly journals Crystal structure of 2-methyl-N-{[2-(pyridin-2-yl)ethyl]carbamothioyl}benzamide

2015 ◽  
Vol 71 (9) ◽  
pp. o636-o636
Author(s):  
Nadiah Ameram ◽  
Farook Adam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiourea Derivative ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C16H17N3OS, a benzoyl thiourea derivative, the planes of the pyridine and benzene rings are inclined to one another by 66.54 (9)°. There is an intramolecular N—H...O hydrogen bond present forming anS(6) ring motif. In the crystal, molecules are linkedviapairs of N—H...N hydrogen bonds, forming inversion dimers, which are reinforced by pairs of C—H...S hydrogen bonds. The dimers are linkedviaC—H...π interactions, forming ribbons along [010].

4-Bromo-N-(3,4-methylenedioxybenzyl)aniline

2007 ◽  
Vol 63 (11) ◽  
pp. o4404-o4404 ◽  
Author(s):  
Shu-Ping Yang ◽  
Li-Jun Han ◽  
Da-Qi Wang ◽  
Hai-Tao Xia
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H12BrNO2, the molecules are linked by one C—H...Br hydrogen bond, so forming a C(13) chain running parallel to the [010] direction, and these chains are linked by further C—H...π and C—H...Br hydrogen bonds, resulting in a three-dimensional network structure.

scholarly journals (4Z)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Jihad Sebhaoui ◽  
Youness El Bakri ◽  
Ibtissam Rayni ◽  
Khadija El Bourakadi ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C ◽  
Acetyl Group

In the title compound, C18H20N2O2, the diazepin-2-one ring adopts a tub conformation. The conformation of the acetyl group is partially determined by an intramolecular N—H...O hydrogen bond. In the crystal, pairwise C—H...O hydrogen bonds form inversion dimers.

scholarly journals (E)-N-{3-[(m-Tolylimino)methyl]pyridin-2-yl}pivalamide

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Şehriman Atalay ◽  
Semra Gerçeker ◽  
Seher Meral
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Methyl Groups ◽  
Compound C ◽  
Benzene Rings

In the title compound, C18H21N3O, the dihedral angle between the pyridine and benzene rings is 30.53 (7)° and the C—C=N—C torsion angle is −170.6 (2)°. An intramolecular N—H...N hydrogen bond generates anS(6) ring. In the crystal, very weak C—H...O hydrogen bonds link the molecules intoC(8) [101] chains. Thetert-butyl methyl groups are disordered over two sets of sites in a 0.783 (4):0.217 (4) ratio.

scholarly journals (E)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Md. Azharul Arafath ◽  
Farook Adam ◽  
Mohd. R. Razali
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Zigzag Chain ◽  
Aromatic Rings ◽  
Methyl Group ◽  
Compound C

In the title compound, C14H14N2O, the dihedral angle between the aromatic rings is 5.54 (9)°. The conformation is reinforced by an intramolecular O—H...N hydrogen bond, which closes anS(6) ring. The pyridine N atom and methyl group lie to opposite sides of the molecule. In the crystal, the molecules are linked into a zigzag chain propagating in [0-11] by weak C—H...O hydrogen bonds.

scholarly journals 2,2′-Bipyridin-1-ium hemioxalate oxalic acid monohydrate

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Błażej Dziuk ◽  
Anna Jezuita
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C ◽  
Oxalic Acids

The asymmetric unit of the title compound, C10H9N2 +·0.5C2O4 2−·C2H2O4·H2O, consists of a 2,2′-bipyridinium cation, half an oxalate dianion, one oxalic acid and one water molecule. One N atom in 2,2′-bipyridine is unprotonated, while the second is protonated and forms an N—H...O hydrogen bond. In the crystal, the anions are connected with surrounding acid molecules and water molecules by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the anions and oxalic acids; their O atoms participate as donors and acceptors, respectively, in O—H...O hydrogen bonds, which form sheets arranged parallel to the ac plane.

scholarly journals Crystal structure ofN-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide

2016 ◽  
Vol 72 (1) ◽  
pp. 60-62 ◽  
Author(s):  
Ying Liang ◽  
Li-Qiao Shi ◽  
Zi-Wen Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C19H13ClF2N2O2, the conformation of the N—H bond in the amide segment isantito the C=O bond. The molecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35 (7) and 81.26 (6)°, respectively. A weak intramolecular C—H...O hydrogen bond occurs. In the crystal, N—H...N, C—H...O and C—H...F hydrogen bonds lead to the formation of dimers. The N—H...N inversion dimers are linked by π–π contacts between adjacent pyridine rings [centroid–centroid = 3.8541 (12) Å] and C—H...π interactions. These contacts combine to stack the molecules along theaaxis.

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