ABSTRACT: In the title compound, C(25)H(34)O(8)·H(2)O, the two crylohexane rings adopt chair conformations. In the crystal, the organic mol-ecule and the water mol-ecule are linked by O-H?O hydrogen bonds, generating a three-dimensional network.
Project description:The title mol-ecule, C21H28O5, is composed of three six-membered rings (A/B/C) and a five-membered ring (D). Ring A adopts a 1?-sofa conformation, while rings B and C adopt chair conformations. Cyclo-pentane ring D adopts a 14?-envelope conformation. In the crystal, O-H?O hydrogen bonds lead to the formation of ribbons running along the a axis. The structure is further consolidated by C-H?O inter-actions, which link the molecules head-to-tail into ribbons along the a axis.
Project description:The title compound, C(24)H(34)O(5), a fungal-transformed metabolite of the injecta-ble contraceptive medroxyprogesterone acetate, consists of four fused rings (A, B, C and D; steroid labelling). Ring A exists in a half-chair conformation while trans-fused rings B and C adopt chair conformations. The five-membered ring D adopts an envelope conformation with the C atom bound to the methyl group at the flap. In the crystal, adjacent mol-ecules are linked by O-H?O and C-H?O hydrogen bonds, forming infinite chains along the a axis.
Project description:The mol-ecule of the title compound, C(18)H(10)O(4), is centrosymmetric and planar. A long phenolic O-H bond is observed [1.19?(9)?Å], which is involved in an intra-molecular hydrogen bond between the phenolic and quinonoid O atoms. The mol-ecules pack in a herringbone pattern and are linked to each other via inter-molecular C-H?O hydrogen bonds (2.73-2.77?Å).
Project description:Caesium propano-ate monohydrate, Cs+·C3H5O2 -·H2O, is composed of two symmetry-independent Cs+ cations, which are situated on the special position 4e of space group P 21 m, one symmetry-independent propano-ate mol-ecule in a general position and a pair of water mol-ecules also situated on special position 4e. Two pairs of these symmetry-independent cations, four propano-ate mol-ecules and two pairs of symmetry-independent water mol-ecules form a repeat unit. These units form columns that are directed along the c axis and possess symmetry mm2. There are four such columns passing through each unit cell. Each column is inter-connected to its neighbours by four bifurcated three-centred Ow-H?Op (w = water, p = propano-ate) hydrogen bonds of moderate strength. There are also four intra-molecular Ow-H?Op hydrogen bonds of moderate strength within each column. One Cs+ cation is coordinated by six oxygen atoms (two water and four carboxyl-ate) in a trigonal-prismatic geometry, while the other Cs+ cation is coordinated by four water and four carboxyl-ate O atoms in a tetra-gonal-prismatic arrangement.
Project description:The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol-ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol-ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol-ecule, the maximum dihedral angle between the planar benzene rings is 80.40?(4)°. The H atoms of the hy-droxy groups are engaged in hydrogen bonding, forming infinite chains parallel to the a axis. These chains are inter-linked through water mol-ecules, resulting in the formation of a two-dimensional network parallel to the (001) plane. Futhermore C-H?O, C-H?? and slipped ?-? inter-actions result in the formation of a three-dimensional network.
Project description:The title compond, C(26)H(44)N(2)O, is an steroidal alkaloid isolated from the medicinally important plant Sarcococca saligna. The mol-ecule consists of four fused rings (A-D), having chair, half-chair, chair and envelope conformations, respectively. The dimethyl-amino group is axially oriented on ring A, whereas the (N-methyl-acetamido)-ethyl group is attached equatorially on ring D. The crystal structure is stabilized only by van der Waals forces.
Project description:The asymmetric unit of the title compound, C(8)H(6)N(2)O(4), contains one half-mol-ecule; a twofold rotation axis bisects the molecule. The quinoxaline ring is planar, which can be attributed to electron delocalization. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into R(2) (2)(10) motifs, leading to layers, which inter-act via phen-yl-phenyl inter-actions (C?C distances in the range 3.238-3.521?Å).
Project description:In the title compound, C(9)H(10)N(2)O(3)·H(2)O, the Schiff base mol-ecule is approximately planar, the dihedral angle between the benzene and acetohydrazide planes being 5.40?(7)°. An intra-molecular O-H?O hydrogen bond is observed. In the crystal, mol-ecules are linked into a two-dimensional network parallel to (100) by O-H?O, N-H?O, O-H?N and C-H?O hydrogen bonds, and by ?-? inter-actions between symmetry-related benzene rings [centroid-centroid distance = 3.543?(2)?Å].
Project description:In the mol-ecule of the title compound, C(7)H(8)NO(2) (+)·Cl(-)·H(2)O, an intra-molecular N-H?O hydrogen bond results in the formation of a non-planar six-membered ring adopting a flattened boat conformation. In the crystal structure, inter-molecular O-H?O and N-H?Cl hydrogen bonds link the mol-ecules. There is a C=O?? contact between the carbonyl unit and the centroid of the benzene ring. There is a C=O?? contact [C?Cg = 3.5802?(18), C-O?Cg = 89?(1)°] between the carbonyl unit and the centroid of the benzene ring.
Project description:The asymmetric unit of the title compound, C(4)H(8)N(2)O(4), contains one half-mol-ecule which is completed via a crystallographic inversion centre. In the crystal structure, mol-ecules are arranged in undulating layers parallel to (001). Inter-molecular N-H?O and O-H?O hydrogen bonds consolidate this arrangement.