32 research outputs found
2,17-Dichloro-8,9,10,11-tetrahydro-19H-dibenzo[k,n][1,10,4,7]dioxadiazacyclopentadecine-7,12(6H,13H)-dione
In the crystal structure of the title compound, C19H18Cl2N2O4, N—H⋯O hydrogen bonds link the molecules into infinite chains along the b axis. The structure also features weak C—H⋯O and C—H⋯Cl hydrogen bonds and C—H⋯π and (lone pair)⋯π interactions [Cl⋯centroid = 3.5871 (7) Å]. An intramolecular N—H⋯O bond occurs
10,16-Dichloro-6,20-dioxa-3,23-diazatetracyclo[23.3.1.07,12.014,19]nonacosa-1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate
In the title compound, C25H22Cl2N2O4·CH3OH, the macrocyclic molecule adopts a slightly distorted C
2-symmetric conformation. The macrocyclic molecules are linked via N—H⋯O hydrogen bonds between the amide groups into chains extending along the [010] direction. The methanol molecules bridge these chains via N—H⋯O and O—H⋯O hydrogen bonds with the formation of a two-dimensional polymeric structure parallel to (001). The methanol molecule is disordered over two positions with the occupancy ratio of 9:1. The disorder of the solvent molecule is caused by weak intermolecular C—H⋯Cl hydrogen bonding
Hydronium perchlorate–dibenzo-18-crown-6 (1/1): monoclinic polymorph
The asymmetric unit of the title compound, H3O+·ClO4
−·C20H24O6, contains two molecules/ions of each species. Both dibenzo-18-crown-6 molecules have a complexed hydronium ion inside their cavity with O—H⋯O and O—H⋯(O,O) links between the two species. The associated perchlorate anions also accept O—H⋯O hydrogen bonds from the hydronium ion. Both crown ether molecules are present in a butterfly conformation with approximate C
2v symmetry and their cavities are closed by the benzene ring of a neighbouring molecule. The packing is consolidated by C—H⋯O and C—H⋯π interactions
5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate
The title compound, tert-butylpropoxycalix[5]arene, C70H100O5·0.5CH2Cl2, crystallizes as a solvate with two molecules of calix[5]arene in 1,2-alternate conformations and one molecule of dichloromethane in the asymmetric unit. One tert-butyl group in one of the molecules and two in the other are disordered over two positions with occupancy factors fixed at 0.5917:0.4083, 0.5901:0.4099 and 0.8535:0.1465, respectively, in the final refinement. The C atoms of a propoxy group in each of the molecules are also disordered over two positions with occupancies of 0.7372:0.2628 and 0.5027:0.4973. The molecules form intramolecular hydrogen bonds between propoxy O atoms and an adjacent CH2 group in a neighbouring propoxy chain. In the crystal, intermolecular C—H⋯O and C—H⋯Cl interactions occur involving the dichloromethane molecule
1,4,8,11-Tetraazoniacyclotetradecane diaquatetrachloridomanganese(II) dichloride dihydrate
The title compound, (C10H28N4)[MnCl4(H2O)2]Cl2·2H2O, consists of isolated octahedral [MnCl4(H2O)2]2− anions, tetraprotonated 1,4,8,11-tetraazoniacyclotetradecane cations, chloride anions and water molecules connected by a network of hydrogen bonds. The MnII atom is situated on an inversion centre, and the 1,4,8,11-tetraazoniacyclotetradecane cation is located on a mirror plane
Low-temperature superstructure of [(N,N-diisobutylcarbamoyl)methyl]octyl(phenyl)phosphine oxide (CMPO)
At 120 K, the title compound, C24H42NO2P, crystallizes in a unit cell with a doubled a parameter compared with the room-temperature structure. There are four molecules in the asymmetric unit, one of which shows extensive disorder in a 0.588 (3):0.412 (3) ratio. In the crystal, numerous C—H⋯O interactions link the molecules
3,3′-(Ethane-1,2-diyl)bis(6-methyl-3,4-dihydro-2H-1,3-benzoxazine)
The asymmetric unit of the title compound, C20H24N2O2, contains one half-molecule, which is completed by inversion symmetry. In the crystal, molecular chains are formed through non-classical C—H⋯O hydrogen bonds, formed between axial H atoms of the oxazine ring and a O atom of a neighboring molecule
N,N,N′,N′-Tetraethylpyridine-2,6-dicarboxamide
The title compound, C15H23N3O2, crystallizes with two molecules in the asymmetric unit which are linked by a C—H⋯N hydrogen bond. In the crystal, molecules are connected via weak C—H⋯O and C—H⋯N hydrogen bonds between the amide O atoms and ethyl chains and between pyridine N atoms and aromatic H atoms in para positions. C—H⋯π interactions also occur
1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole)
The cyclohexane ring in the title compound, C21H24N8, adopts a chair conformation and the five-membered heterocyclic ring to which it is fused adopts a twist conformation on their common C—C bond. The substituents on the N atoms of the central five-membered heterocycle are arranged trans with respect to the central ring. The terminal benzotriazole rings are oriented at angles of 74.66 (8) and 84.18 (8)° with respect to the mean plane of the central heterocycle. The angle between the two benzotriazole rings is 30.80 (9)°. The bond lengths and angles are within normal ranges; the largest deviation from expectation is for a long N—CH2 bond length [1.476 (2) Å] as a consequence of an anomeric effect. In the crystal, molecules are connected by C—H⋯N hydrogen bonds
5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate
In the title compound, C90H120O18·2CH3CN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-molecule of calix[6]arene and one molecule of solvent in the asymmetric unit. In the crystal, the two solvent molecules are enclosed in voids between the calix[6]arene molecules. They form weak C—H⋯O hydrogen bonds involving an O atom of the lower rim substituent. The cavity of the calix[6]arene itself is enclosed by two opposite phenol rings, which are turned into the cavity due to the presence of a C—H⋯π interaction. The calix[6]arene molecule exhibits disorder of one substituent on its lower rim [occupancy ratio 0.897 (3):0.103 (3)]