Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene.

In the title compound, C20H18N2S, the asymmetric unit comprises two similar mol-ecules (A and B). In mol-ecule A, the central thio-phene ring makes dihedral angles of 89.96 (12) and 57.39 (13)° with the 1H-pyrrole rings, which are bent at 83.22 (14)° relative to each other, and makes an angle of 85.98 (11)° with the phenyl ring. In mol-ecule B, the corresponding dihedral angles are 89.49 (13), 54.64 (12)°, 83.62 (14)° and 85.67 (11)°, respectively. In the crystal, mol-ecular pairs are bonded to each other by N-H⋯N inter-actions. N-H⋯π and C-H⋯π inter-actions further connect the mol-ecules, forming a three-dimensional network. A Hirshfeld surface analysis indicates that H⋯H (57.1% for mol-ecule A; 57.3% for mol-ecule B), C⋯H/H⋯C (30.7% for mol-ecules A and B) and S⋯H/H⋯S (6.2% for mol-ecule A; 6.4% for mol-ecule B) inter-actions are the most important contributors to the crystal packing.

Crystal structure and Hirshfeld surface analysis of (2E)-1-phenyl-3-(1H-pyrrol-2-yl)propen-1-one.

The title com-pound, C13H11NO, adopts an E configuration about the C=C double bond. The pyrrole ring is inclined to the phenyl ring at an angle of 44.94 (8)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming ribbons parallel to (020) in zigzag C(7) chains along the a axis. These ribbons are connected via C-H⋯π inter-actions, forming a three-dimensional network. No significant π-π inter-actions are observed.

Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate.

In the title compound, C15H14N2O2·H2O, the 1H-pyrrole ring makes a dihedral angle of 59.95 (13)° with the phenyl ring. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds into layers parallel to the (020) plane, while two mol-ecules are connected to the water mol-ecule by two N-H⋯O hydrogen bonds and one mol-ecule by an O-H⋯O hydrogen bond. C-H⋯π and π-π inter-actions further link the mol-ecules into chains extending in the [01] direction and stabilize the mol-ecular packing. According to a Hirshfeld surface study, H⋯H (49.4%), C⋯H/H⋯C (23.2%) and O⋯H/H⋯O (20.0%) inter-actions are the most significant contributors to the crystal packing.