Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate

Nguyen Tien, C.; Nguyen Tan, Q.; Pham Duc, D.; Tran Hoang, P.; Nguyen Dang, D.; Truong Minh, L.; Van Meervelt, L.

doi:10.1107/S2056989020005071

Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate

C. Nguyen Tien, Q. Nguyen Tan, D. Pham Duc, P. Tran Hoang, D. Nguyen Dang, L. Truong Minh and L. Van Meervelt

In the title compound, C₁₈H₁₆N₂O₃S, the dihedral angle between the mean planes of the quinazoline and phenyl rings is 86.83 (5)°. In the crystal, C—H

O interactions link the molecules into infinite columns along the b-axis direction. Parallel columns interact by additional C—H

O hydrogen bonds.

Keywords: crystal structure; quinazolin-4-one; hydrogen bonding; Hirshfeld analysis.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2056989020005071/dj2002sup1.cif Contains datablock I
	Structure factor file (CIF format) https://doi.org/10.1107/S2056989020005071/dj2002Isup2.hkl Contains datablock I
	Chemical Markup Language (CML) file https://doi.org/10.1107/S2056989020005071/dj2002Isup3.cml Supplementary material

CCDC reference: 1996127

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R factor = 0.043
wR factor = 0.111
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT220_ALERT_2_C NonSolvent Resd 1  C   Ueq(max) / Ueq(min) Range        3.4 Ratio
PLAT234_ALERT_4_C Large Hirshfeld Difference C16      --C17B     .       0.19 Ang.
PLAT241_ALERT_2_C High   MainMol Ueq as Compared to Neighbors of        C22 Check
PLAT242_ALERT_2_C Low    MainMol Ueq as Compared to Neighbors of        C13 Check
PLAT242_ALERT_2_C Low    MainMol Ueq as Compared to Neighbors of        C18 Check
PLAT331_ALERT_2_C Small Aver Phenyl C-C Dist C18      --C23      .       1.37 Ang.
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      C17AA Check
                    C17AA       H17A
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      C17AA Check
                    C17AA       H17B
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      C17AA Check
                    C17AA       H17C
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      C17BB Check
                    C17BB       H17D
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      C17BB Check
                    C17BB       H17E
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      C17BB Check
                    C17BB       H17F
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      H17AA Check
                    H17AA       C17AA       H17B
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      H17AA Check
                    H17AA       C17AA       H17C
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      H17BA Check
                    H17BA       C17AA       H17C
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      H17DB Check
                    H17DB       C17BB       H17E
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      H17DB Check
                    H17DB       C17BB       H17F
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      H17EB Check
                    H17EB       C17BB       H17F
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17AA Check
                    C17AA       C16         O15
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17BB Check
                    C17BB       C16         O15
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17AA Check
                    C17AA       C16         H16A
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17AA Check
                    C17AA       C16         H16B
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      H16AA Check
                    H16AA       C16         H16B
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17BB Check
                    C17BB       C16         H16C
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17BB Check
                    C17BB       C16         H16D
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      H16CB Check
                    H16CB       C16         H16D
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17AA Check
                    C16         C17AA       H17A
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17AA Check
                    C16         C17AA       H17B
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17AA Check
                    C16         C17AA       H17C
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17BB Check
                    C16         C17BB       H17D
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17BB Check
                    C16         C17BB       H17E
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........      C17BB Check
                    C16         C17BB       H17F
PLAT713_ALERT_1_C TORSION Unknown or Inconsistent Label ..........      C17BB Check
                    C13         O15         C16         C17BB
PLAT713_ALERT_1_C TORSION Unknown or Inconsistent Label ..........      C17AA Check
                    C13         O15         C16         C17AA
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      4.262 Check
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          2 Report

Alert level G
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do !
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check
PLAT230_ALERT_2_G Hirshfeld Test Diff for    C16      --C17A     .       10.9 s.u.
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )         4% Note
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          3 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          2 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
  36 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   7 ALERT level G = General information/check it is not something unexpected

  30 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: CrysAlis PRO (Rigaku OD, 2018); cell refinement: CrysAlis PRO (Rigaku OD, 2018); data reduction: CrysAlis PRO (Rigaku OD, 2018); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate top

Crystal data top

C₁₈H₁₆N₂O₃S	F(000) = 712
M_r = 340.39	D_x = 1.313 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
a = 11.8865 (6) Å	Cell parameters from 7343 reflections
b = 5.1298 (3) Å	θ = 2.9–26.9°
c = 28.2942 (14) Å	µ = 0.21 mm⁻¹
β = 93.667 (4)°	T = 293 K
V = 1721.72 (16) Å³	Needle, colourless
Z = 4	0.5 × 0.15 × 0.15 mm

Data collection top

Rigaku Oxford Diffraction SuperNova, Single source at offset/far, Eos diffractometer	3533 independent reflections
Radiation source: micro-focus sealed X-ray tube, SuperNova (Mo) X-ray Source	2875 reflections with I > 2σ(I)
Mirror monochromator	R_int = 0.024
Detector resolution: 15.9631 pixels mm^-1	θ_max = 26.4°, θ_min = 2.7°
ω scans	h = −14→14
Absorption correction: multi-scan (CrysAlisPro; Rigaku OD, 2018)	k = −6→6
T_min = 0.715, T_max = 1.000	l = −35→35
18522 measured reflections

Refinement top

Refinement on F²	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.043	H-atom parameters constrained
wR(F²) = 0.111	w = 1/[σ²(F_o²) + (0.0409P)² + 0.5306P] where P = (F_o² + 2F_c²)/3
S = 1.08	(Δ/σ)_max < 0.001
3533 reflections	Δρ_max = 0.14 e Å⁻³
229 parameters	Δρ_min = −0.22 e Å⁻³
0 restraints

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
N1	0.68674 (11)	0.7908 (3)	0.38689 (5)	0.0521 (4)
C2	0.58088 (13)	0.8340 (3)	0.37790 (6)	0.0453 (4)
N3	0.51456 (10)	0.7160 (3)	0.34201 (5)	0.0438 (3)
C4	0.55985 (14)	0.5351 (3)	0.31132 (6)	0.0456 (4)
C5	0.67846 (13)	0.4761 (3)	0.32214 (6)	0.0450 (4)
C6	0.73246 (16)	0.2867 (4)	0.29607 (7)	0.0577 (5)
H6	0.692325	0.197199	0.271885	0.069*
C7	0.84377 (17)	0.2334 (4)	0.30609 (8)	0.0702 (6)
H7	0.879740	0.107617	0.288799	0.084*
C8	0.90293 (17)	0.3672 (5)	0.34210 (9)	0.0794 (7)
H8	0.979020	0.331142	0.348609	0.095*
C9	0.85182 (16)	0.5518 (5)	0.36837 (8)	0.0709 (6)
H9	0.893080	0.639601	0.392451	0.085*
C10	0.73754 (14)	0.6078 (4)	0.35893 (6)	0.0489 (4)
S11	0.50921 (4)	1.05531 (10)	0.41245 (2)	0.06194 (18)
C12	0.62397 (16)	1.1534 (4)	0.45253 (7)	0.0564 (5)
H12A	0.686170	1.209133	0.434376	0.068*
H12B	0.600486	1.301892	0.470701	0.068*
C13	0.66465 (17)	0.9421 (4)	0.48617 (7)	0.0563 (5)
O14	0.61472 (13)	0.7513 (3)	0.49620 (5)	0.0728 (4)
O15	0.76681 (14)	1.0046 (3)	0.50483 (6)	0.0907 (5)
C16	0.8156 (3)	0.8266 (9)	0.54064 (14)	0.1386 (14)
H16A	0.856216	0.924744	0.565576	0.166*	0.531 (13)
H16B	0.756086	0.729319	0.554614	0.166*	0.531 (13)
H16C	0.780435	0.857679	0.570144	0.166*	0.469 (13)
H16D	0.798109	0.649159	0.530875	0.166*	0.469 (13)
C17A	0.8872 (9)	0.6589 (19)	0.5203 (4)	0.129 (4)	0.531 (13)
H17A	0.844520	0.538073	0.500469	0.194*	0.531 (13)
H17B	0.930264	0.565109	0.544649	0.194*	0.531 (13)
H17C	0.937310	0.755551	0.501607	0.194*	0.531 (13)
C17B	0.9293 (6)	0.850 (3)	0.5485 (4)	0.152 (7)	0.469 (13)
H17D	0.964924	0.820026	0.519528	0.228*	0.469 (13)
H17E	0.955908	0.724381	0.571772	0.228*	0.469 (13)
H17F	0.947221	1.022473	0.559888	0.228*	0.469 (13)
C18	0.39382 (13)	0.7640 (3)	0.33627 (6)	0.0454 (4)
C19	0.35129 (17)	0.9418 (4)	0.30424 (7)	0.0620 (5)
H19	0.399266	1.040013	0.286589	0.074*
C20	0.23496 (18)	0.9749 (5)	0.29822 (9)	0.0763 (6)
H20	0.205352	1.096917	0.276528	0.092*
C21	0.16481 (17)	0.8324 (5)	0.32340 (9)	0.0773 (6)
H21	0.087168	0.852870	0.318649	0.093*
C22	0.20844 (17)	0.6590 (6)	0.35575 (11)	0.0981 (9)
H22	0.160210	0.563733	0.373781	0.118*
O23	0.50149 (10)	0.4422 (3)	0.27855 (5)	0.0628 (4)
C23	0.32353 (16)	0.6215 (5)	0.36235 (9)	0.0804 (7)
H23	0.352638	0.500489	0.384337	0.096*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
N1	0.0442 (8)	0.0581 (9)	0.0531 (9)	0.0025 (7)	−0.0027 (6)	−0.0094 (7)
C2	0.0450 (9)	0.0470 (9)	0.0436 (9)	0.0019 (7)	0.0000 (7)	−0.0009 (7)
N3	0.0390 (7)	0.0495 (8)	0.0429 (7)	−0.0008 (6)	0.0014 (6)	−0.0007 (6)
C4	0.0448 (9)	0.0500 (10)	0.0426 (9)	−0.0079 (7)	0.0059 (7)	−0.0003 (7)
C5	0.0436 (8)	0.0490 (9)	0.0432 (9)	−0.0020 (7)	0.0087 (7)	0.0011 (7)
C6	0.0592 (11)	0.0621 (12)	0.0530 (10)	0.0015 (9)	0.0133 (9)	−0.0057 (9)
C7	0.0640 (12)	0.0763 (14)	0.0722 (14)	0.0156 (11)	0.0198 (10)	−0.0067 (11)
C8	0.0448 (10)	0.1025 (18)	0.0911 (16)	0.0192 (11)	0.0054 (10)	−0.0125 (14)
C9	0.0454 (10)	0.0877 (15)	0.0784 (14)	0.0082 (10)	−0.0050 (9)	−0.0172 (12)
C10	0.0415 (9)	0.0551 (10)	0.0503 (10)	0.0012 (8)	0.0051 (7)	−0.0006 (8)
S11	0.0562 (3)	0.0648 (3)	0.0638 (3)	0.0166 (2)	−0.0040 (2)	−0.0173 (2)
C12	0.0662 (11)	0.0442 (10)	0.0583 (11)	0.0019 (9)	−0.0007 (9)	−0.0083 (8)
C13	0.0682 (12)	0.0521 (11)	0.0486 (10)	0.0027 (9)	0.0039 (9)	−0.0064 (9)
O14	0.0954 (11)	0.0510 (8)	0.0736 (10)	−0.0013 (8)	0.0189 (8)	−0.0009 (7)
O15	0.0849 (11)	0.0986 (12)	0.0845 (11)	−0.0084 (9)	−0.0259 (9)	0.0233 (10)
C16	0.130 (3)	0.164 (3)	0.115 (3)	0.017 (3)	−0.037 (2)	0.058 (3)
C17A	0.131 (7)	0.112 (6)	0.143 (7)	0.033 (5)	0.006 (5)	0.020 (5)
C17B	0.093 (5)	0.221 (15)	0.137 (9)	0.000 (6)	−0.030 (5)	0.083 (10)
C18	0.0390 (8)	0.0472 (9)	0.0495 (9)	0.0018 (7)	−0.0019 (7)	0.0005 (7)
C19	0.0591 (11)	0.0629 (12)	0.0625 (12)	−0.0047 (9)	−0.0084 (9)	0.0135 (10)
C20	0.0663 (13)	0.0759 (14)	0.0830 (15)	0.0141 (11)	−0.0229 (12)	0.0171 (12)
C21	0.0445 (10)	0.0862 (16)	0.0997 (17)	0.0125 (11)	−0.0074 (11)	0.0044 (14)
C22	0.0431 (11)	0.113 (2)	0.139 (2)	0.0074 (12)	0.0148 (13)	0.0576 (19)
O23	0.0525 (7)	0.0796 (9)	0.0558 (8)	−0.0115 (7)	0.0002 (6)	−0.0174 (7)
C23	0.0441 (10)	0.0888 (16)	0.1085 (18)	0.0097 (10)	0.0063 (11)	0.0494 (14)

Geometric parameters (Å, º) top

N1—C2	1.287 (2)	S11—C12	1.7896 (19)
N1—C10	1.390 (2)	C12—H12A	0.9700
C17Aa—H17A	0.9600	C12—H12B	0.9700
C17Aa—H17B	0.9600	C12—C13	1.502 (3)
C17Aa—H17C	0.9600	C13—O14	1.188 (2)
C17Bb—H17D	0.9600	C13—O15	1.332 (2)
C17Bb—H17E	0.9600	O15—C16	1.456 (3)
C17Bb—H17F	0.9600	C16—H16A	0.9700
C2—N3	1.384 (2)	C16—H16B	0.9700
C2—S11	1.7541 (17)	C16—H16C	0.9700
N3—C4	1.402 (2)	C16—H16D	0.9700
N3—C18	1.4550 (19)	C16—C17A	1.363 (8)
C4—C5	1.455 (2)	C16—C17B	1.361 (9)
C4—O23	1.219 (2)	C18—C19	1.360 (2)
C5—C6	1.400 (2)	C18—C23	1.362 (3)
C5—C10	1.393 (2)	C19—H19	0.9300
C6—H6	0.9300	C19—C20	1.393 (3)
C6—C7	1.363 (3)	C20—H20	0.9300
C7—H7	0.9300	C20—C21	1.346 (3)
C7—C8	1.383 (3)	C21—H21	0.9300
C8—H8	0.9300	C21—C22	1.356 (3)
C8—C9	1.370 (3)	C22—H22	0.9300
C9—H9	0.9300	C22—C23	1.382 (3)
C9—C10	1.397 (2)	C23—H23	0.9300

C2—N1—C10	117.28 (15)	H16Aa—C16—H16B	108.2
N1—C2—N3	124.99 (15)	C17Bb—C16—H16C	108.8
N1—C2—S11	120.31 (13)	C17Bb—C16—H16D	108.8
H17Aa—C17Aa—H17B	109.5	H16Cb—C16—H16D	107.7
H17Aa—C17Aa—H17C	109.5	H12A—C12—H12B	107.7
N3—C2—S11	114.70 (11)	C13—C12—S11	113.59 (13)
C2—N3—C4	121.38 (13)	C13—C12—H12A	108.8
C2—N3—C18	121.27 (13)	C13—C12—H12B	108.8
C4—N3—C18	117.26 (13)	O14—C13—C12	126.89 (19)
N3—C4—C5	114.37 (14)	O14—C13—O15	124.07 (19)
O23—C4—N3	120.51 (15)	O15—C13—C12	109.01 (17)
H17Ba—C17Aa—H17C	109.5	C13—O15—C16	115.9 (2)
H17Db—C17Bb—H17E	109.5	O15—C16—H16A	109.8
H17Db—C17Bb—H17F	109.5	O15—C16—H16B	109.8
H17Eb—C17Bb—H17F	109.5	O15—C16—H16C	108.8
O23—C4—C5	125.12 (16)	O15—C16—H16D	108.8
C6—C5—C4	120.27 (16)	C16—C17Aa—H17A	109.5
C10—C5—C4	119.46 (15)	C19—C18—N3	120.65 (16)
C10—C5—C6	120.27 (16)	C16—C17Aa—H17B	109.5
C5—C6—H6	120.0	C19—C18—C23	120.39 (17)
C7—C6—C5	120.09 (19)	C23—C18—N3	118.92 (15)
C7—C6—H6	120.0	C16—C17Aa—H17C	109.5
C6—C7—H7	120.2	C16—C17Bb—H17D	109.5
C6—C7—C8	119.64 (19)	C18—C19—H19	120.4
C8—C7—H7	120.2	C18—C19—C20	119.14 (19)
C7—C8—H8	119.3	C16—C17Bb—H17E	109.5
C9—C8—C7	121.39 (19)	C16—C17Bb—H17F	109.5
C9—C8—H8	119.3	C20—C19—H19	120.4
C8—C9—H9	120.1	C19—C20—H20	119.6
C8—C9—C10	119.9 (2)	C21—C20—C19	120.9 (2)
C10—C9—H9	120.1	C21—C20—H20	119.6
N1—C10—C5	122.43 (15)	C20—C21—H21	120.3
N1—C10—C9	118.83 (17)	C20—C21—C22	119.37 (19)
C17Aa—C16—O15	109.5 (5)	C22—C21—H21	120.3
C5—C10—C9	118.73 (17)	C21—C22—H22	119.5
C2—S11—C12	99.06 (8)	C21—C22—C23	121.0 (2)
C17Bb—C16—O15	113.9 (5)	C23—C22—H22	119.5
S11—C12—H12A	108.8	C18—C23—C22	119.24 (19)
C17Aa—C16—H16A	109.8	C18—C23—H23	120.4
S11—C12—H12B	108.8	C22—C23—H23	120.4
C17Aa—C16—H16B	109.8

N1—C2—N3—C4	−0.6 (3)	C7—C8—C9—C10	0.0 (4)
N1—C2—N3—C18	176.02 (16)	C8—C9—C10—N1	178.3 (2)
N1—C2—S11—C12	0.18 (17)	C8—C9—C10—C5	−1.0 (3)
C2—N1—C10—C5	0.7 (3)	C10—N1—C2—N3	−1.3 (3)
C2—N1—C10—C9	−178.59 (18)	C10—N1—C2—S11	178.30 (13)
C2—N3—C4—C5	2.9 (2)	C10—C5—C6—C7	−1.1 (3)
C2—N3—C4—O23	−176.56 (16)	S11—C2—N3—C4	179.77 (12)
C2—N3—C18—C19	97.9 (2)	S11—C2—N3—C18	−3.6 (2)
C2—N3—C18—C23	−84.4 (2)	S11—C12—C13—O14	−19.1 (3)
C2—S11—C12—C13	−68.94 (15)	S11—C12—C13—O15	162.70 (14)
N3—C2—S11—C12	179.82 (13)	C12—C13—O15—C16	176.3 (3)
N3—C4—C5—C6	176.06 (15)	O14—C13—O15—C16	−1.9 (4)
N3—C4—C5—C10	−3.3 (2)	C13—O15—C16—C17Bb	161.5 (9)
N3—C18—C19—C20	177.27 (18)	C13—O15—C16—C17Aa	97.7 (7)
N3—C18—C23—C22	−177.5 (2)	C18—N3—C4—C5	−173.88 (14)
C4—N3—C18—C19	−85.4 (2)	C18—N3—C4—O23	6.7 (2)
C4—N3—C18—C23	92.4 (2)	C18—C19—C20—C21	−0.4 (4)
C4—C5—C6—C7	179.52 (18)	C19—C18—C23—C22	0.3 (4)
C4—C5—C10—N1	1.7 (3)	C19—C20—C21—C22	1.5 (4)
C4—C5—C10—C9	−179.01 (18)	C20—C21—C22—C23	−1.7 (5)
C5—C6—C7—C8	0.0 (3)	C21—C22—C23—C18	0.8 (5)
C6—C5—C10—N1	−177.70 (16)	O23—C4—C5—C6	−4.5 (3)
C6—C5—C10—C9	1.6 (3)	O23—C4—C5—C10	176.07 (17)
C6—C7—C8—C9	0.6 (4)	C23—C18—C19—C20	−0.5 (3)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C7—H7···O23ⁱ	0.93	2.59	3.452 (3)	155
C12—H12B···O14ⁱⁱ	0.97	2.42	3.311 (3)	153
C19—H19···O23ⁱⁱ	0.93	2.41	3.236 (2)	148

Symmetry codes: (i) −x+3/2, y−1/2, −z+1/2; (ii) x, y+1, z.

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Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate

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Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate