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

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    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

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    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

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    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

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    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

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    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)

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    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)

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    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

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    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)

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    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

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    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)]
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