title: Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3 beta-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3 beta-pyrrolidinoandrost-5-en-17 beta-ol monohydrate.
abstract: In the steroidal nucleus of 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3 beta-ol, C(30)H(29)ClO(4), (I), the outer two six-membered rings are in chair conformations, while the five-membered ring and the central six-membered ring of the steroidal nucleus adopt half-chair and envelope conformations, respectively. In 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3 beta-pyrrolidinoandrost-5-en-17 beta-ol monohydrate, C(37)H(54)N(2)O(3).H(2)O, (II), one C atom of one of the outer six-membered rings of the steroid nucleus and the four C atoms of the ethoxypyrrolidine ring are disordered over two sites. The five-membered ring, and the central and one of the outer six-membered rings of the steroidal nucleus exhibit distorted half-chair, chair and envelope conformations, respectively. In (I), intermolecular O-H...O hydrogen bonds link the molecules into chains via a co-operative O-H...O-H...O-H pattern. In (II), intermolecular O-H...O and O-H...N hydrogen bonds link the steroid and water molecules alternately into extended chains.
authors.affiliation: Department ofPhysics, Bharathidasan University, Tiruchirappalli, India.
authors.forename: S
authors.initials: S
authors.lastname: Thamotharan
authors.forename: V
authors.initials: V
authors.lastname: Parthasarathi
authors.forename: Ranju
authors.initials: R
authors.lastname: Gupta
authors.forename: Sheetal
authors.initials: S
authors.lastname: Guleria
authors.forename: D P
authors.initials: DP
authors.lastname: Jindal
authors.forename: Anthony
authors.initials: A
authors.lastname: Linden
mesh_terms: D000736:Androstenes / Q000737:chemistry*; D006863:Hydrogen-Ion Concentration; D008958:Models, Molecular; D011758:Pyrroles / Q000737:chemistry*
chemical_list: C487753:16-(3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene)-3 beta-pyrrolidinoandrost-5-en-17 beta-ol monohydrate; C487754:16-(4-(3-chloropropoxy)-3-methoxybenzylidene)-17-oxoandrost-5-en-3 beta-ol; D000736:Androstenes; D011758:Pyrroles